data_2edj_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 2edj _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' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.798 0.249 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.24 142.55 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.9 mt -99.87 87.74 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -39.77 -45.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -151.51 117.42 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.6 -170.95 21.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 156.74 62.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.8 168.22 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -73.38 102.63 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.42 ' NE2' HD11 ' A' ' 28' ' ' LEU . 14.2 pt20 -117.81 138.53 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.6 m -106.09 94.19 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.8 mt -94.67 172.84 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.27 130.93 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.411 HG22 ' CG ' ' A' ' 23' ' ' ASP . 5.4 p -41.79 151.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' CG ' HG22 ' A' ' 22' ' ' VAL . 5.1 m-20 71.27 30.88 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.9 -158.76 10.05 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -121.8 120.54 34.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.93 125.08 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -119.67 106.28 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.494 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 2.6 mm? -99.44 102.96 14.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.32 139.16 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -155.12 112.18 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -122.86 123.41 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.75 143.91 49.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -115.98 150.53 37.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -175.6 166.55 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 36' ' ' PRO . 37.2 t0 -134.98 93.13 17.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.3 Cg_endo -69.69 -177.64 14.87 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.65 147.12 86.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.84 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.61 102.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 41' ' ' SER . 42.0 mm -58.85 139.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 40' ' ' ILE . 21.4 m -156.17 140.03 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 84.8 m95 -111.14 123.61 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.77 119.7 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -93.27 102.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 59.05 31.37 21.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.14 41.0 9.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.19 146.12 28.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.962 0.41 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -52.58 130.79 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 35.5 t80 -164.19 140.55 5.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.81 -33.79 3.3 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.323 0.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.552 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.47 144.78 33.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -165.31 169.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.7 m -104.11 107.73 18.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD12 ' CD2' ' A' ' 42' ' ' TRP . 1.3 tt -78.24 110.9 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -112.53 121.24 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 mt -124.15 123.4 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -101.31 156.64 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.0 45.42 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.2 mt -45.72 171.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -152.92 143.6 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.1 mm -52.62 -20.83 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -84.42 -29.18 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -55.24 -35.7 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.5 m -38.77 116.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.27 -169.19 24.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 m -102.9 111.24 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -90.92 137.67 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -132.62 104.48 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.0 t -80.93 96.73 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 t -87.45 133.28 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -127.87 81.65 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.0 m -82.0 133.77 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 85' ' ' SER . 60.5 p -135.63 150.82 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -37.41 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 83' ' ' SER . 3.1 m -69.1 -73.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 -139.74 3.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.473 ' CD ' ' C ' ' A' ' 87' ' ' GLU . 1.2 tm-20 -153.68 150.02 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -154.7 162.68 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.59 153.91 29.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -109.11 175.28 5.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.9 p -136.64 127.38 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.73 146.27 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -123.38 130.66 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.5 tp -99.96 97.66 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.35 111.21 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.9 t -98.51 119.12 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.4 p -115.05 163.86 15.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -81.39 -41.17 22.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.1 p -119.78 41.59 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.794 0.248 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mt -113.15 135.24 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.9 mt -94.24 94.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -46.33 -47.81 18.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -148.33 116.14 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.07 -169.07 29.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.5 Cg_endo -69.74 166.2 28.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.85 158.3 43.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -63.53 109.31 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -124.84 142.81 51.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -109.66 100.18 9.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -106.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.63 146.07 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.61 154.56 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.2 t0 71.04 29.65 2.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.73 -137.47 4.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -143.14 127.05 17.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.03 116.32 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -110.47 93.25 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD22 ' CD2' ' A' ' 77' ' ' TYR . 6.2 mp -84.5 103.15 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 134.04 50.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 t -156.43 114.28 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -124.25 135.08 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -146.21 145.87 30.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 t -114.82 150.2 35.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -172.88 165.15 37.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' PRO . 4.1 t70 -134.63 92.65 19.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.85 -178.39 16.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.282 0.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.94 147.16 88.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.463 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.79 148.79 65.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.82 88.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.0 mm -43.94 122.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -135.65 171.94 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 84.2 m95 -143.49 126.25 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -116.57 118.77 33.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 73' ' ' ASP . 23.0 tttt -93.87 101.83 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 62.52 36.37 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.16 42.0 25.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -148.11 142.57 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -52.76 135.67 35.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 1.4 t80 -168.84 142.87 2.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.8 -29.44 5.71 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.37 -0.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' OD1' ' A' ' 68' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.836 0.35 . . . . 0.0 110.825 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.22 158.64 15.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -174.75 172.18 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 m -105.81 113.64 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 0.0 111.14 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.516 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -72.93 111.97 8.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -112.15 123.66 50.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 mt -131.39 124.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 68.3 mttt -104.4 178.3 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.428 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 5.8 m120 42.24 44.42 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -49.42 161.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -142.9 148.68 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -47.97 -21.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -80.08 -37.91 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.428 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 24.3 m-20 -44.24 -36.98 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -41.57 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.59 -172.55 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.6 m -102.6 114.66 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.184 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.478 ' CD2' HD22 ' A' ' 28' ' ' LEU . 40.3 m-85 -88.81 142.01 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 93.5 m -132.83 88.17 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.405 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 7.5 t -64.24 113.35 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -107.6 144.77 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -131.11 88.99 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 83' ' ' SER . 15.3 m -86.9 144.69 26.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.424 ' N ' HG21 ' A' ' 82' ' ' THR . 92.0 p -156.29 159.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 t -50.31 -31.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -72.67 -68.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.94 -135.42 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -170.41 148.56 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 t -143.21 165.68 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.9 p -150.43 158.75 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.467 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 13.2 t-105 -126.22 177.15 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.9 p -130.33 138.31 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -164.28 160.86 21.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.72 114.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.5 tp -87.54 145.52 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -125.59 105.6 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.89 116.84 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.8 p -112.49 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -77.28 -29.57 53.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -128.98 43.4 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.741 0.226 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 11.7 mm -97.54 152.82 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 56.0 mt -113.7 102.39 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -52.82 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -133.94 102.9 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.56 -167.73 38.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.6 Cg_endo -69.76 -179.17 2.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.95 150.39 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -58.08 114.0 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -128.72 150.64 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.5 m -116.17 102.97 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 mt -107.62 179.12 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.98 144.15 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.79 162.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 55.46 49.36 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.09 -125.98 2.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -146.94 112.94 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 111.16 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.37 113.18 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mp -109.63 150.68 27.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.52 HD21 ' CZ3' ' A' ' 42' ' ' TRP . 7.4 mp -128.11 138.29 52.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.1 123.34 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 t -146.44 117.69 7.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.88 126.49 39.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.22 158.32 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 t -136.12 150.3 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.13 156.12 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.451 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.6 t70 -124.05 122.64 26.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.76 159.71 89.23 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.331 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.68 134.65 86.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 153.4 68.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' ILE . 71.3 t -96.85 82.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 50.1 mm -37.43 142.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -151.23 169.03 22.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CZ3' HD21 ' A' ' 28' ' ' LEU . 92.7 m95 -138.42 122.35 17.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.55 115.19 29.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -93.05 101.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 58.64 43.1 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.4 43.15 63.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -153.09 153.22 32.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.8 t -57.38 138.84 54.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.535 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 28.5 t80 -170.09 140.29 1.62 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.3 Cg_endo -69.79 -47.51 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.34 0.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HB1' ' CB ' ' A' ' 50' ' ' PRO . . . -72.74 110.14 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 t -134.29 172.81 12.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -84.01 105.18 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.199 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 0.4 OUTLIER -73.25 109.04 6.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.19 130.92 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 mt -129.37 124.23 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -102.42 154.18 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.5 m120 63.23 50.86 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.45 162.89 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 71.0 mtt-85 -140.21 145.44 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.5 mm -49.35 -21.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -85.56 -29.51 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 70' ' ' ARG . 91.3 m-20 -51.71 -31.29 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.3 m -44.16 102.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.13 178.51 26.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.0 m -103.71 106.99 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -94.25 164.73 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m -144.25 125.34 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 5.7 t -89.07 103.51 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.59 141.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.96 91.4 3.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -83.18 133.36 35.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 p -146.16 151.49 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 t -38.9 -34.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -70.0 -70.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.48 -128.25 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -174.64 140.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.412 ' CG2' HD11 ' A' ' 11' ' ' ILE . 14.6 t -126.83 175.78 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.3 p -155.0 150.12 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.515 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 t-105 -128.82 112.31 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.5 p -70.17 144.5 51.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -174.19 156.25 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 94' ' ' LEU . 10.1 p -134.21 163.01 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 8.9 tp -126.89 139.68 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.59 106.33 13.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.0 109.31 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.2 p -119.68 161.33 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.56 -39.11 93.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -86.29 -51.31 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.763 0.234 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mt -106.83 128.61 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.2 mt -85.29 86.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -41.84 -43.86 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -152.74 110.27 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.25 -164.83 34.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -166.8 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.65 147.99 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -59.62 113.96 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -127.62 142.51 51.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -109.26 99.24 8.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.99 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 171.46 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 97' ' ' THR . 8.5 p -91.33 151.68 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 64.6 29.18 13.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.16 -114.63 2.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -160.77 124.84 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 0.0 111.099 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.83 122.72 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -110.11 145.64 36.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.52 HD21 ' CZ3' ' A' ' 42' ' ' TRP . 5.9 mp -126.65 111.76 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -85.25 117.4 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.4 t -139.96 106.04 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -108.25 166.54 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.39 146.15 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -119.03 144.7 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.78 158.03 8.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.445 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -131.99 122.57 18.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.75 151.18 91.18 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.324 0.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.1 mt -47.13 140.59 6.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.36 60.16 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.738 2.292 . . . . 0.0 112.36 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.7 t -86.54 85.77 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.51 134.26 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -147.67 178.3 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CZ3' HD21 ' A' ' 28' ' ' LEU . 84.4 m95 -144.1 120.6 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.36 115.18 29.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -87.62 100.93 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 59.07 41.76 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.4 42.49 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -155.62 149.05 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -49.67 141.47 9.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.531 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 27.0 t80 -171.73 139.75 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.74 -3.06 7.43 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.339 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.798 0.332 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' PRO . . . -72.91 164.73 26.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.6 t -168.9 160.09 9.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -98.99 91.6 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.103 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 42' ' ' TRP . 4.1 tt -71.3 111.46 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -115.83 122.56 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.4 120.12 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -96.11 161.33 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 54.79 51.89 13.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.1 mt -53.57 157.59 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 4.9 ptp180 -140.85 152.95 45.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -55.1 -17.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -86.45 -27.02 24.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -62.35 -14.81 43.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 96.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.76 175.76 31.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.6 m -92.74 124.79 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -99.45 153.94 18.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.6 m -137.92 115.27 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 25.3 t -89.99 107.26 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.69 134.47 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.81 97.3 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 m -92.45 149.61 21.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.4 t -170.03 145.92 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' SER . 29.3 t -36.59 -40.83 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -63.05 -68.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.41 -150.98 5.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 88' ' ' THR . 37.4 tt0 -160.94 156.42 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 10.1 t -154.04 168.96 24.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.1 p -148.47 149.76 32.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 -123.09 157.9 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.2 p -112.49 145.94 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.47 149.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.01 143.47 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.9 tp -114.0 108.79 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.23 96.2 10.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.34 124.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' VAL . 33.9 p -118.77 179.78 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -89.65 -22.0 22.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.3 m -110.53 -41.08 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.73 0.221 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.8 mt -117.15 119.45 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' CG2' ' CA ' ' A' ' 14' ' ' GLY . 90.8 mt -72.12 92.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -59.01 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.72 79.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.422 ' CA ' ' CG2' ' A' ' 11' ' ' ILE . . . -66.93 -163.4 1.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.5 Cg_endo -69.78 -165.76 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -69.46 108.1 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.06 140.29 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -111.14 96.98 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -103.37 175.74 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 141.54 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 p -48.55 150.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 66.64 39.29 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.35 -127.35 3.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.2 m -163.72 114.71 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 111.159 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.19 125.76 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.19 99.62 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD23 ' CZ3' ' A' ' 42' ' ' TRP . 5.5 mp -88.29 108.05 19.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -92.64 115.31 27.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.65 86.54 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -83.99 127.64 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.9 149.85 42.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -118.53 140.02 50.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.76 138.8 2.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.455 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 t70 -114.2 122.78 33.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.8 169.52 63.13 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -53.38 133.27 53.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 151.67 69.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.635 2.224 . . . . 0.0 112.372 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 80.3 t -89.83 83.87 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mm -48.47 107.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -112.65 -176.59 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.53 ' CG ' ' CD1' ' A' ' 64' ' ' LEU . 88.1 m95 -155.73 129.98 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.9 mt -121.76 118.48 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -89.84 97.91 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 58.6 45.36 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.78 27.64 68.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.47 151.22 51.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -49.52 137.68 14.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.531 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 12.2 t80 -162.01 138.17 5.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.82 -43.74 0.58 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.347 0.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.336 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.75 147.58 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.3 t -161.31 176.11 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -39.87 104.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.53 ' CD1' ' CG ' ' A' ' 42' ' ' TRP . 5.8 tt -71.32 124.99 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -121.74 126.32 48.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.1 125.59 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -105.58 159.43 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 59.24 43.88 16.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.53 162.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 11.7 mtp-105 -149.86 143.37 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.1 mm -40.22 -26.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' ARG . 27.1 p -75.62 -44.66 41.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ARG . 75.0 m-20 -41.37 -35.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -39.26 117.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.2 -163.66 22.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.3 m -121.98 106.87 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.458 ' CD2' HD21 ' A' ' 28' ' ' LEU . 49.0 m-85 -85.88 138.16 32.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 93.6 m -118.31 98.39 6.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.3 t -70.23 118.52 13.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.54 127.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.63 89.63 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -82.13 137.52 34.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.2 p -155.98 150.42 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -49.57 -25.56 2.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -77.25 -53.94 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.4 -150.24 5.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -169.8 141.97 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 89' ' ' SER . 8.5 t -138.21 -176.61 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.403 ' N ' ' OG1' ' A' ' 88' ' ' THR . 45.7 p -154.65 159.48 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.408 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 7.0 t-105 -136.39 172.24 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 t -133.42 142.83 48.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.68 146.46 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -121.62 130.35 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.2 tp -105.82 87.57 2.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.35 111.96 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.8 t -103.44 126.06 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.3 p -124.52 167.42 14.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -81.85 -35.63 29.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.0 m -123.84 42.77 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.758 0.232 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 15.1 mm -109.55 153.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 61.6 mt -101.83 86.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -45.48 -44.78 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -153.48 106.39 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.79 -165.32 37.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -165.55 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.03 171.68 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.89 115.88 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.08 146.2 51.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 m -117.54 103.59 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 42.5 mt -108.24 -179.08 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.76 176.03 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -95.39 147.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 68.41 36.21 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.72 -116.45 2.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -159.55 123.57 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -102.88 112.47 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 27' ' ' LEU . 4.2 mm? -102.49 114.7 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.57 ' CD2' ' CE1' ' A' ' 77' ' ' TYR . 5.9 mp -98.97 141.95 31.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 124.0 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.21 122.77 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -129.7 121.92 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.21 141.72 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.062 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -114.54 140.57 48.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.02 161.35 30.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 36' ' ' PRO . 8.9 t70 -133.93 104.44 11.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.74 174.31 40.99 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.346 0.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.24 139.21 97.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 54.0 Cg_endo -69.76 160.75 48.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.63 86.06 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mm -49.64 119.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -131.03 176.15 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.56 ' CZ3' HD22 ' A' ' 28' ' ' LEU . 72.9 m95 -143.83 141.14 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.4 mt -128.01 118.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 24.0 tttt -80.28 102.84 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 53.79 28.62 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.56 21.77 33.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -127.38 149.81 49.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -45.05 135.85 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.529 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 10.2 t80 -169.32 138.24 1.65 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.78 -27.61 6.73 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.358 0.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.548 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.771 0.32 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.67 155.43 16.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.9 t -162.1 166.17 26.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.452 ' CD1' HD13 ' A' ' 64' ' ' LEU . 1.7 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.3 m -74.82 88.82 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.463 ' HB2' ' NE1' ' A' ' 42' ' ' TRP . 5.9 tp -66.45 119.62 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -116.06 150.1 37.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.6 mt -136.11 146.15 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -124.37 150.84 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.0 48.65 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.7 mt -53.13 156.45 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -146.22 144.9 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.52 -22.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.3 p -80.23 -37.59 32.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' THR . 1.3 m-20 -49.79 -35.88 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASP . 35.4 m -37.94 111.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.075 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.73 -166.34 19.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.455 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.7 m -122.15 105.82 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 111.147 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.57 ' CE1' ' CD2' ' A' ' 28' ' ' LEU . 1.2 p90 -86.52 159.36 19.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 98.7 m -130.4 108.26 9.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 9.0 t -79.07 104.54 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.85 138.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -122.76 91.91 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 83' ' ' SER . 8.1 m -82.09 153.32 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 82' ' ' THR . 37.1 p -167.1 151.33 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.3 t -45.93 -22.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -78.9 -65.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.17 -141.87 3.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -172.34 125.16 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 t -129.13 152.09 49.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.5 p -134.87 155.04 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -119.9 -177.0 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.0 p -147.06 138.73 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.26 162.48 14.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.3 t -129.33 143.89 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 tp -121.92 121.71 37.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.1 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.34 120.97 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.5 p -111.05 178.8 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -83.69 -37.25 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 100' ' ' GLY . 54.8 m -98.89 -51.49 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.789 0.246 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.1 mt -108.91 127.85 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 mt -79.69 81.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -40.3 -38.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -162.83 110.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.89 -160.92 34.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.1 Cg_endo -69.72 -169.87 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.367 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.6 156.54 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 106.84 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -123.31 136.52 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -103.6 100.26 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 71.7 mt -104.77 -179.6 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.85 143.25 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.75 157.37 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 56.98 51.09 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.78 -117.63 1.46 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -159.13 116.77 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -104.71 117.26 33.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -110.68 116.23 30.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.9 mp -100.32 97.43 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -66.28 135.85 55.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 t -155.47 140.0 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -143.69 134.45 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.7 130.39 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -103.55 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 169.41 17.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 6.0 t70 -143.21 123.03 7.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.7 149.8 89.0 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.337 -0.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' CD1' ' HD2' ' A' ' 38' ' ' PRO . 4.7 tp -37.79 136.88 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 37' ' ' LEU . 53.9 Cg_endo -69.82 172.68 12.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -117.65 88.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mm -44.35 124.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 m -134.77 133.33 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.518 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 81.8 m95 -110.46 119.11 38.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.9 mt -107.79 109.26 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -82.74 105.83 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 55.25 40.72 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.63 49.04 20.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -156.49 148.11 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -52.71 129.85 30.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.531 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 43.6 t80 -158.53 138.04 8.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.77 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.318 0.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.438 ' CB ' ' HB3' ' A' ' 50' ' ' PRO . . . -84.59 130.85 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -161.3 160.84 30.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 m -108.51 99.67 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 112.19 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -110.23 135.45 50.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.02 126.02 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -103.99 153.48 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 60.77 48.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.33 160.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -138.14 147.48 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.14 -20.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -87.41 -31.2 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -50.34 -24.97 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.9 m -47.77 100.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.92 -177.55 20.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -107.25 95.59 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.53 ' CD2' HD21 ' A' ' 28' ' ' LEU . 54.8 m-85 -75.48 149.18 38.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.4 m -128.6 115.2 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.2 t -88.4 100.3 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 p -111.86 125.17 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -110.0 95.14 5.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -79.67 154.83 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.1 p -167.13 151.06 6.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 m -42.05 -39.7 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.8 t -60.91 -70.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.37 -139.63 3.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -165.34 141.11 5.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 t -138.58 156.93 47.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -142.42 153.88 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.462 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 12.6 t-105 -121.96 -177.29 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 99.4 p -137.76 139.33 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.51 168.31 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.5 p -153.33 140.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.429 HD23 ' CG2' ' A' ' 96' ' ' VAL . 14.7 tp -106.96 113.77 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.98 87.12 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.429 ' CG2' HD23 ' A' ' 94' ' ' LEU . 74.8 t -83.92 118.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.6 p -131.0 168.15 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.61 -36.62 78.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.5 p -89.69 -27.86 19.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.726 0.219 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -119.29 127.99 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -86.3 95.87 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.45 -55.73 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -124.61 87.45 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.11 -170.21 45.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.7 Cg_endo -69.74 -178.12 2.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.97 141.39 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -52.71 107.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -120.96 156.0 33.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.6 m -123.43 107.38 11.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.2 mt -114.61 171.72 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 153.36 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 23' ' ' ASP . 7.3 p -63.76 162.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' N ' ' CG2' ' A' ' 22' ' ' VAL . 12.2 t70 59.61 32.21 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.7 -162.92 11.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -119.15 120.94 38.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 111.15 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.17 114.25 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.42 107.04 16.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 77' ' ' TYR . 7.1 mp -92.4 134.13 35.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.02 139.1 38.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 t -161.19 108.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -116.75 112.66 21.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.29 149.31 39.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 t -123.58 135.44 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.72 166.51 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.44 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 15.1 t70 -140.67 122.01 9.24 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.77 150.47 90.24 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.334 0.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -40.16 133.37 1.52 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.81 165.67 30.25 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.16 92.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mm -52.84 128.47 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 m -141.76 148.71 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ3' HD21 ' A' ' 28' ' ' LEU . 80.4 m95 -120.26 120.48 36.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -104.23 112.57 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.532 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tttm -95.74 106.95 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 60.63 34.05 20.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.6 46.14 49.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.98 139.7 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -40.55 130.82 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 3.5 t80 -161.75 140.15 7.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.689 0.757 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.2 Cg_endo -69.78 -2.9 7.41 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.359 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.808 0.337 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HB3' ' CB ' ' A' ' 50' ' ' PRO . . . -87.43 145.51 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -163.6 161.74 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 73.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.3 m -92.95 93.19 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.134 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.502 ' CD1' ' CG ' ' A' ' 42' ' ' TRP . 1.4 tt -60.03 144.93 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -145.67 122.02 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt -124.71 112.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -93.72 147.32 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 66.94 53.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.62 164.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 63.4 mtp180 -144.86 137.5 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.4 mm -39.73 -29.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' ASP . 20.2 t -77.63 -42.63 34.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 52.6 m-20 -37.71 -38.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.9 m -38.86 99.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.95 -177.04 21.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 84.9 m -111.15 112.61 24.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 111.119 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.517 ' CE2' HD22 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -100.78 156.9 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.9 m -135.03 116.34 14.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.4 t -83.6 106.12 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 81' ' ' ALA . 1.1 p -114.72 139.4 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -121.92 98.61 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -83.32 150.29 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -166.8 157.84 12.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -52.12 -27.43 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.0 m -71.73 -66.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.23 -138.34 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -173.52 139.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.2 t -141.91 161.1 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -141.53 146.02 35.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.443 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.8 t-105 -118.85 122.25 41.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.8 p -79.74 142.85 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.05 161.84 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' A' ' 94' ' ' LEU . 8.9 p -142.02 162.0 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.409 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 5.9 tp -131.82 122.29 25.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -102.94 118.02 35.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.64 116.3 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' A' ' 100' ' ' GLY . 68.7 p -106.83 -178.5 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -98.36 -25.16 14.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.2 p -127.37 34.95 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.413 ' N ' ' HG1' ' A' ' 97' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.767 0.236 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.46 128.0 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -81.58 85.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -39.09 -46.02 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -155.28 105.95 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.08 -157.64 33.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.402 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.9 Cg_endo -69.71 -178.49 2.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.18 154.44 27.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -64.93 105.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.05 147.7 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -114.45 96.03 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 23.5 mt -98.63 170.74 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.6 138.25 38.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.79 159.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 62.17 38.02 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.45 -140.58 4.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 m -140.12 127.9 21.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -109.79 110.28 21.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.36 107.79 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 HD23 ' CZ3' ' A' ' 42' ' ' TRP . 5.8 mp -95.88 104.69 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -77.97 144.14 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -166.33 133.43 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -145.79 133.57 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.17 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t -99.73 152.56 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.04 168.69 21.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.8 t70 -140.66 122.13 9.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.77 163.7 81.17 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.351 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.33 133.21 42.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.676 0.75 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 163.05 39.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.53 82.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 41' ' ' SER . 26.0 mm -44.81 141.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 40' ' ' ILE . 2.4 m -151.37 143.16 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.567 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 85.3 m95 -111.96 126.8 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -118.47 110.91 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 11.1 ttmt -86.33 109.53 19.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.55 39.83 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.27 41.61 68.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' THR . 92.9 m-85 -148.36 142.73 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' PHE . 11.3 t -37.57 144.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 9.8 t80 -174.94 137.54 0.57 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.698 0.761 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.574 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.3 Cg_endo -69.81 -17.88 11.89 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.329 0.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' HB3' ' CB ' ' A' ' 50' ' ' PRO . . . -77.69 135.91 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 t -175.26 159.64 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.5 m -91.39 78.54 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 111.176 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 42' ' ' TRP . 1.4 tt -53.33 155.86 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -148.6 126.63 12.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.406 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 12.3 mt -130.31 111.89 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -95.58 152.14 18.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 61.89 43.59 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -42.73 165.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 73' ' ' ASP . 31.7 mtp85 -145.99 139.57 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 34.5 mm -39.51 -28.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.6 t -75.19 -41.18 58.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 70' ' ' ARG . 9.9 m-20 -38.09 -41.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.3 m -38.78 128.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.34 -140.84 3.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 53.5 m -136.75 108.65 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.453 ' CE1' ' HE3' ' A' ' 44' ' ' LYS . 83.6 m-85 -83.68 135.87 34.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.0 m -123.67 97.08 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.7 t -77.65 100.01 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.12 142.73 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.07 101.69 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 83' ' ' SER . 48.9 m -88.95 151.74 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 82' ' ' THR . 89.8 p -164.26 157.17 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -47.29 -32.57 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.7 m -73.27 -72.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.5 -148.92 4.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -164.45 140.02 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.5 t -136.36 148.24 47.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.4 p -125.66 145.9 49.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.402 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 12.2 t-105 -111.1 171.21 7.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.8 p -130.64 141.43 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -155.1 -178.77 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.2 t -156.4 121.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' CD1' HG22 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -104.72 115.55 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.425 ' N ' HD11 ' A' ' 94' ' ' LEU . 3.9 t70 -106.43 101.75 11.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.427 HG22 ' CD1' ' A' ' 94' ' ' LEU . 97.6 t -88.08 115.52 28.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.1 p -109.48 148.9 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.197 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -70.52 -45.74 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 p -118.03 42.32 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.484 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.733 0.222 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 14.3 mm -109.03 153.58 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.478 ' HB ' ' CZ3' ' A' ' 90' ' ' TRP . 41.5 mt -103.2 91.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.65 -54.98 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -127.57 91.92 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.08 -172.8 48.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 54.0 Cg_endo -69.73 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.44 149.55 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -60.11 110.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' NE2' HD12 ' A' ' 28' ' ' LEU . 6.5 pt20 -124.7 146.49 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.3 m -111.95 102.85 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.28 175.34 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.31 162.85 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 23' ' ' ASP . 14.6 p -81.54 144.47 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 22' ' ' VAL . 24.2 t0 64.52 45.23 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.81 -116.38 1.81 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -150.27 129.07 12.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.111 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.81 112.26 15.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -106.95 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.0 mm? -122.05 113.27 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 9.1 mptt -83.27 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.75 111.81 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.65 121.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -121.55 158.33 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.28 138.78 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.38 146.45 4.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.451 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 4.9 t0 -120.68 122.6 28.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.83 166.22 74.8 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.33 0.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD1' ' HD2' ' A' ' 38' ' ' PRO . 13.9 tp -52.4 135.27 42.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.9 Cg_endo -69.75 159.72 52.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.0 t -99.74 91.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.1 mm -54.19 131.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -140.37 161.82 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.552 ' CG ' ' CD1' ' A' ' 64' ' ' LEU . 94.9 m95 -134.59 128.37 33.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -119.9 116.81 26.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -94.36 99.81 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 32.3 mt-10 62.12 46.76 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.38 47.27 89.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CD2' ' O ' ' A' ' 45' ' ' GLU . 68.6 m-85 -153.11 146.33 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.2 t -50.65 135.25 23.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.526 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 5.9 t80 -163.42 138.87 5.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.79 -42.96 0.67 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.329 0.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.71 169.99 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -169.67 169.73 8.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.446 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 9.9 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.446 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -81.53 109.77 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.552 ' CD1' ' CG ' ' A' ' 42' ' ' TRP . 3.2 tt -85.53 110.89 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -110.62 113.51 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 14.1 mt -103.51 129.14 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -111.77 145.18 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m120 69.91 45.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.2 mt -51.39 159.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 58.1 mtp180 -139.44 157.97 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.8 mm -58.86 -16.67 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -89.92 -17.72 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -32.75 73.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -46.69 116.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.21 -115.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 92.6 m -166.0 121.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 m-85 -94.33 148.89 21.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.0 m -133.58 102.46 5.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.24 114.4 17.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 p -123.49 132.39 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -122.55 100.17 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 83' ' ' SER . 11.3 m -85.34 154.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 82' ' ' THR . 23.0 p -173.57 147.68 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' SER . 1.3 t -37.77 -41.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -55.42 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.19 -132.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -173.32 148.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 14.5 t -151.69 159.99 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.8 p -138.21 162.93 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.478 ' CZ3' ' HB ' ' A' ' 11' ' ' ILE . 8.0 t-105 -129.07 164.14 23.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -123.59 144.39 49.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.91 146.32 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.12 120.17 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 94' ' ' LEU . 1.6 tm? -99.0 118.76 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.22 114.89 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' A' ' 94' ' ' LEU . 69.4 t -103.22 120.35 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' VAL . 61.4 p -114.1 -178.48 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -95.96 -16.54 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.0 m -112.28 -53.83 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.474 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.759 0.233 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 16.3 mm -100.39 158.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.494 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 65.4 mt -108.27 91.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -44.67 -43.61 8.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.75 112.95 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 -166.25 24.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.24 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.59 157.07 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -62.3 101.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -120.1 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -117.18 101.26 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -109.61 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.08 166.49 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 p -84.27 152.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 74.73 37.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.76 -123.33 2.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.9 m -160.83 124.07 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.24 106.13 16.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.53 97.51 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.507 HD22 ' CZ3' ' A' ' 42' ' ' TRP . 8.0 mp -79.39 128.62 33.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -98.87 117.53 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 t -143.21 124.79 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -134.04 127.52 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.82 148.15 50.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -125.26 137.04 54.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.2 170.97 35.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 28.2 t70 -137.04 125.74 15.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.73 168.76 66.23 Favored 'Cis proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.38 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.64 121.12 14.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.463 ' N ' HD13 ' A' ' 37' ' ' LEU . 53.3 Cg_endo -69.87 149.33 66.04 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -92.33 117.42 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.0 mm -74.33 108.14 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.84 132.33 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 79' ' ' CYS . 45.9 m95 -105.79 141.7 36.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 119.45 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -85.92 105.7 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.5 40.8 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.79 17.88 79.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -121.87 159.42 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -51.3 146.96 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 10.4 t80 -171.95 138.25 1.0 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.79 -41.0 0.98 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.331 -0.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.865 0.364 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.31 119.29 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 t -139.72 169.53 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 90.1 m -57.58 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.503 HD13 ' CG ' ' A' ' 42' ' ' TRP . 6.9 tt -71.43 130.86 42.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -127.58 126.99 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.69 96.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -76.05 153.89 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 58.44 53.76 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.4 mt -49.88 169.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 12.5 mtp-105 -157.93 146.81 19.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.5 mm -51.19 -27.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -79.29 -24.17 43.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -66.27 -24.28 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.3 m -48.8 106.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.36 -165.88 13.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.9 m -125.19 99.43 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 111.148 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.4 p90 -80.58 166.36 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 m -143.6 106.15 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 36.8 t -78.56 118.09 20.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 p -125.06 145.56 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -122.58 90.14 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -76.51 143.46 40.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -168.61 148.68 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.2 m -39.58 -42.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -58.17 -65.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.98 -143.72 3.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -172.5 114.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.941 0.4 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 15.4 t -114.78 153.04 31.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -133.48 155.04 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -129.34 141.71 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -102.78 141.4 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.26 149.8 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -122.33 149.43 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.7 tp -127.51 111.16 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.17 118.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.24 114.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 65.6 p -100.01 -175.6 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.81 -20.65 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 100' ' ' GLY . 9.3 t -121.82 -38.21 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.745 0.227 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.9 mt -124.35 140.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.1 mt -89.76 85.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -48.7 -58.26 5.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -125.78 82.76 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.81 -171.41 45.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.75 160.3 39.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 2.1 p30 -68.98 108.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -122.24 150.57 42.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -119.84 95.97 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 20.3 mt -97.88 176.25 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.53 140.49 37.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 23' ' ' ASP . 2.4 p -46.34 156.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 22' ' ' VAL . 63.7 m-20 62.33 36.97 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.14 -127.13 3.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 m -163.6 119.3 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -89.9 113.33 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.27 80.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 77' ' ' TYR . 10.6 mt -89.23 102.5 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -85.55 138.95 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.8 t -134.6 84.33 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -81.05 138.06 36.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.19 148.87 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -122.18 147.27 46.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.75 169.7 27.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.438 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 5.1 p-10 -141.6 121.98 8.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.598 0.713 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.5 Cg_endo -69.81 171.07 55.65 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.317 0.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.72 128.86 35.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.05 64.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -89.87 99.66 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.03 138.78 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -142.18 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CG ' HD13 ' A' ' 64' ' ' LEU . 98.1 m95 -153.89 135.54 14.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.3 mt -128.57 112.59 14.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -86.83 105.92 17.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 53.33 42.79 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.69 39.7 59.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -145.79 157.1 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 t -55.72 142.47 34.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 24.0 t80 -174.97 137.93 0.58 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.3 Cg_endo -69.68 -3.2 7.45 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.38 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.59 140.95 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -156.82 165.41 36.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -89.72 94.44 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.504 HD13 ' CG ' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -61.93 94.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -99.23 120.37 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 mt -120.02 113.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -90.31 156.4 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 61.91 47.51 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 73' ' ' ASP . 37.2 mtp180 -145.92 140.11 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.6 mm -38.49 -27.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' ARG . 8.3 t -74.32 -43.76 55.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ARG . 1.9 m-20 -36.14 -36.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' ASP . 92.7 m -35.44 133.56 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.58 175.18 39.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.9 m -98.39 110.97 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' CD2' HD11 ' A' ' 28' ' ' LEU . 68.2 m-85 -85.39 148.5 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 91.1 m -139.23 105.28 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 46.6 t -83.76 116.85 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -108.18 123.09 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.39 100.01 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.3 m -93.9 151.26 19.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.4 p -174.93 153.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 t -45.67 -30.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.7 m -65.22 -55.23 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.97 -130.1 1.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -174.69 141.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 t -142.82 169.4 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.5 p -150.43 145.36 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -110.88 175.16 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.5 p -132.82 125.93 31.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -146.36 159.9 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.6 t -141.61 112.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.505 ' CD1' ' CG2' ' A' ' 96' ' ' VAL . 3.3 tm? -92.56 121.65 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.1 110.11 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.505 ' CG2' ' CD1' ' A' ' 94' ' ' LEU . 49.1 t -97.42 117.94 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.8 p -117.35 161.36 19.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -72.04 -39.77 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLY . 58.4 m -129.81 58.84 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.816 0.257 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mt -90.63 131.19 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' LEU . 63.5 mt -87.11 89.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' ILE . 19.6 mt -35.23 -42.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -169.27 107.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.79 -158.09 30.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.29 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.2 169.58 17.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -79.36 106.58 11.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.424 ' NE2' HD23 ' A' ' 28' ' ' LEU . 5.8 pt20 -128.63 140.23 51.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -102.47 103.31 13.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.4 -178.76 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.42 168.61 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 p -91.25 164.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.34 31.73 19.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.69 -135.92 4.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 m -138.51 123.28 18.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.38 119.02 38.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mt -111.21 118.25 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD23 ' NE2' ' A' ' 18' ' ' GLN . 21.9 mt -110.86 131.91 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -95.74 134.17 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -147.49 111.58 5.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -112.5 157.29 21.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.12 139.99 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -120.1 132.58 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.35 177.89 42.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.535 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.456 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.9 t70 -142.99 123.82 8.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.578 0.704 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.81 -179.81 20.3 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 0.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -62.16 123.44 78.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.64 0.733 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 142.25 47.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.7 t -85.89 109.58 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.51 120.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -123.73 -176.42 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CD2' HD13 ' A' ' 64' ' ' LEU . 91.1 m95 -152.92 136.23 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.06 113.61 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.555 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 33.4 tttp -83.64 100.41 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 60.1 45.45 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.69 79.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -154.6 155.05 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -50.88 139.39 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 45.1 t80 -172.31 138.76 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.521 ' HA ' ' CG ' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.75 -48.66 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.73 161.47 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -167.74 163.24 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 179.906 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.5 m -48.52 111.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.172 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 42' ' ' TRP . 2.1 tt -79.17 113.74 17.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -110.8 116.58 31.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.8 mt -114.65 124.86 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -102.47 158.6 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 55.81 51.04 12.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -52.01 169.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 73' ' ' ASP . 23.1 mtm180 -155.06 140.85 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.5 mm -42.48 -23.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.3 t -79.89 -38.93 31.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 70' ' ' ARG . 16.6 m-20 -42.88 -35.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.4 m -42.65 115.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.64 -167.85 25.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.8 m -106.86 103.2 12.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.46 115.21 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.3 m -107.79 108.36 19.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.1 t -78.01 113.69 16.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.7 t -109.15 131.31 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.76 99.47 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -87.56 144.79 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 84' ' ' SER . 73.6 p -167.46 146.25 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' SER . 19.8 m -35.57 -44.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -52.45 -60.43 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.23 -128.64 0.98 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -174.77 142.41 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -141.01 170.86 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.8 p -150.92 159.17 44.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -124.71 -177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.0 p -137.73 134.58 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -154.62 153.1 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -132.16 108.11 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 tp -89.65 117.82 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.74 101.67 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -92.06 125.85 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 p -117.88 -175.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.9 m -118.22 39.19 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.546 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 CA-C-O 120.77 0.237 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 11' ' ' ILE . 5.4 mp -110.69 141.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.457 ' N ' HG21 ' A' ' 10' ' ' ILE . 67.9 mt -94.53 92.27 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' CD2' HG22 ' A' ' 33' ' ' THR . 35.4 mt -49.82 -60.3 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -132.26 102.8 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.0 -164.46 35.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.8 175.39 8.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.52 154.12 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -67.79 102.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -117.06 137.22 52.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.2 m -111.24 101.39 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 mt -106.98 177.74 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.2 147.21 24.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -59.84 158.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.33 40.53 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.66 -127.3 2.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.444 ' N ' HD13 ' A' ' 69' ' ' LEU . 28.0 m -149.44 136.07 19.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.327 . . . . 0.0 111.159 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.21 112.21 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 27' ' ' LEU . 4.6 mm? -107.63 115.15 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 2.2 mm? -97.75 115.35 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 125.52 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.4 145.16 30.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -158.96 124.48 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.51 134.26 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.438 HG22 ' CD2' ' A' ' 12' ' ' LEU . 14.6 t -108.82 150.75 27.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.67 -170.25 34.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 9.9 t70 -156.54 124.27 2.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.8 159.87 89.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.86 121.79 8.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.16 41.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.54 111.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.35 145.58 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -154.27 160.0 41.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CD1' HD12 ' A' ' 64' ' ' LEU . 94.6 m95 -131.42 126.56 35.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.5 mt -117.69 116.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -87.31 103.82 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 55.23 40.01 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.25 47.58 12.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -157.24 151.09 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 t -45.46 140.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 36.5 t80 -169.71 137.96 1.51 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.74 -36.98 2.14 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.329 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.79 133.61 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -163.2 160.15 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.7 m -71.74 87.43 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.7 tt -65.63 149.85 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -138.07 136.09 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 mt -136.04 110.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -95.31 159.84 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 56.89 44.79 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.444 HD13 ' N ' ' A' ' 25' ' ' THR . 18.8 mt -48.19 162.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ASP . 10.4 ptm180 -156.81 143.68 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' ARG . 48.5 mm -34.67 -35.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ARG . 47.1 t -61.48 -50.6 72.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ARG . 15.5 m-20 -38.07 -43.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' ASP . 95.7 m -35.28 97.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -153.13 176.79 31.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.8 m -98.76 116.49 31.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.168 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 65.6 m-85 -92.88 152.42 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.0 m -138.13 110.69 7.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.68 101.16 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.67 134.27 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.56 95.77 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -84.91 155.97 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 p -172.26 148.95 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' SER . 2.0 m -34.98 -44.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.9 m -58.31 -62.83 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.9 -146.65 4.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -150.76 140.87 22.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 t -135.91 157.0 47.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.3 p -142.14 163.05 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -132.63 165.69 23.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.9 p -118.47 138.46 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -166.38 165.0 17.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.2 t -150.2 146.47 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 tp -118.83 95.58 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.75 110.64 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.15 122.59 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 p -115.65 157.02 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.42 -39.96 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.6 t -114.46 43.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 87' ' ' GLU . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.751 0.23 . . . . 0.0 112.4 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.75 138.56 25.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 12' ' ' LEU . 29.8 mt -93.85 86.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' ILE . 48.6 mt -35.45 -38.9 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -167.21 107.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.25 -162.75 37.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 177.34 5.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.54 143.71 18.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -52.36 114.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -127.22 147.73 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -119.81 103.11 9.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.4 mt -109.61 -176.35 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.7 155.4 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.9 148.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.84 50.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.01 -128.43 2.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -147.52 131.32 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.142 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.98 113.63 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -107.74 143.44 36.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.58 ' CD1' ' CE1' ' A' ' 77' ' ' TYR . 2.1 mm? -119.05 107.27 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -77.28 133.68 38.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.07 131.84 12.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -143.85 127.0 16.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.78 147.87 46.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -115.38 149.45 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.73 166.0 19.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.6 t70 -139.31 122.78 10.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.75 165.15 77.36 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.335 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.7 131.43 27.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.6 Cg_endo -69.8 153.15 69.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.42 90.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.1 mm -62.05 110.19 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.1 m -124.96 173.59 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 67.9 m95 -138.35 135.22 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -120.06 107.89 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -84.31 102.96 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 61.54 34.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.9 44.85 29.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -155.79 146.6 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -42.9 132.33 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.169 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 58.6 t80 -166.52 139.74 3.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.74 -45.49 0.42 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.318 -0.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -111.01 139.66 46.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -146.81 159.83 43.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 64' ' ' LEU . 5.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.0 m -86.54 100.37 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' HG21 ' A' ' 58' ' ' ILE . 4.3 tp -75.9 137.32 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -133.28 138.48 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.5 mt -133.04 124.15 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -105.21 162.24 13.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.66 44.66 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 mt -48.68 165.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 73' ' ' ASP . 18.6 ptt180 -157.1 138.84 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 28.4 mm -35.65 -31.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.0 t -68.79 -46.76 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ARG . 44.2 m-20 -42.69 -36.11 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -37.44 101.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.11 -175.73 22.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 92' ' ' ALA . 97.8 m -111.86 104.92 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.58 ' CE1' ' CD1' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -87.51 142.66 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 m -125.98 112.37 15.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.435 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 22.7 t -84.42 99.76 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -106.3 137.82 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -123.57 93.55 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -82.6 154.38 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -168.73 148.29 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -40.44 -37.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 m -64.66 -68.54 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.818 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.35 -143.96 3.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.41 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.5 tm-20 -167.63 147.03 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.7 t -148.48 148.47 30.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.8 p -135.95 141.98 44.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -107.98 169.68 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.1 m -129.3 145.78 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.433 ' O ' ' CG2' ' A' ' 76' ' ' THR . . . -174.76 171.87 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.67 143.67 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tp -115.15 115.98 27.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.0 106.59 18.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -92.37 118.56 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.9 p -111.5 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -92.45 -26.72 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -126.08 26.78 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.774 0.239 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -101.48 144.59 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.421 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 33.3 mt -95.79 93.21 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.6 mt -47.26 -50.8 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -133.6 90.94 2.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.97 -171.96 47.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.5 Cg_endo -69.79 151.4 68.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.92 171.88 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -82.2 105.83 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' NE2' HD12 ' A' ' 28' ' ' LEU . 14.5 pt20 -120.25 143.18 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -113.2 97.85 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.4 mt -101.27 -175.24 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.93 130.37 56.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 23' ' ' ASP . 7.3 p -40.63 160.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.414 ' N ' ' CG2' ' A' ' 22' ' ' VAL . 21.0 t70 60.14 37.14 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.44 -136.04 4.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 m -148.9 117.07 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' CB ' HD23 ' A' ' 94' ' ' LEU . . . -101.44 122.58 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -109.66 108.55 18.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 3.0 mm? -94.65 106.42 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -79.95 122.69 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.9 t -144.29 115.16 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -128.54 133.04 48.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.02 140.27 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 t -109.21 149.48 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.65 153.89 6.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.1 m-20 -126.34 122.01 23.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.78 158.41 91.11 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.349 0.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD1' ' HD2' ' A' ' 38' ' ' PRO . 4.3 tp -53.9 138.6 54.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 37' ' ' LEU . 53.7 Cg_endo -69.74 163.78 36.97 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.44 82.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -43.08 135.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.151 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -146.14 176.4 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 98.6 m95 -143.54 130.85 20.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -120.13 119.07 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 42.8 tttt -91.73 107.37 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 51.31 40.9 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.26 33.84 52.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -140.5 153.61 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.968 0.413 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 t -51.67 141.64 16.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.527 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 21.9 t80 -169.82 137.93 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.743 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.83 -32.78 3.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 -1.814 . . . . 0.0 112.325 0.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 160.76 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.5 t -173.52 160.16 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.434 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 5.1 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.434 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 m -109.67 107.25 17.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.485 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 0.6 OUTLIER -77.82 108.7 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -108.8 122.61 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.13 124.1 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -101.51 157.49 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 57.78 49.6 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -52.79 164.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -150.53 151.65 32.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 mm -50.41 -30.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.8 t -69.17 -40.8 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' THR . 9.0 m-20 -46.55 -38.7 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASP . 87.6 m -36.19 127.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.28 -152.39 11.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 83.2 m -127.86 119.49 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.177 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -96.64 129.36 44.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.0 m -117.69 102.57 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.18 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.93 122.79 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.06 94.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.448 ' HA ' ' CB ' ' A' ' 87' ' ' GLU . 25.7 m -84.92 152.12 23.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.3 p -168.19 175.93 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 t -65.28 -31.77 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -86.54 10.82 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.73 -170.7 13.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -138.82 172.36 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.4 t -146.42 -179.01 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.0 p -154.46 154.81 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.6 t-105 -128.67 171.27 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.2 p -126.16 137.36 53.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -169.59 150.58 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.7 t -133.61 130.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 26' ' ' ALA . 48.7 tp -104.34 95.79 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.11 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -96.02 112.56 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.4 p -108.35 167.24 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.37 -49.16 9.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.1 m -101.69 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.758 0.233 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -112.48 127.09 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -81.65 84.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.84 -54.79 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -130.0 94.23 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.03 -172.85 43.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.4 Cg_endo -69.73 -177.87 2.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.64 167.21 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -72.64 109.72 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' NE2' ' CD2' ' A' ' 28' ' ' LEU . 11.1 pt20 -126.34 140.44 52.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -104.91 94.8 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.4 mt -102.46 -177.83 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.39 167.18 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -87.95 151.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t0 66.42 48.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.18 -127.19 2.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -151.5 110.68 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.148 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.28 101.43 13.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 27' ' ' LEU . 4.0 mm? -87.35 104.8 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.552 ' CD2' ' NE2' ' A' ' 18' ' ' GLN . 45.9 mt -91.2 122.43 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.97 128.02 34.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.9 t -153.71 109.41 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -128.11 133.9 49.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.42 150.01 52.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -116.21 148.53 40.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.48 142.4 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -112.57 122.6 35.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.78 169.78 61.75 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.313 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.92 133.83 92.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 152.02 69.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -90.36 96.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.15 114.37 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -117.89 -176.08 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.412 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 97.1 m95 -155.27 129.6 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.95 116.75 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -90.49 107.73 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 50.58 45.15 27.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.73 38.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -158.86 145.64 17.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -43.52 137.32 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.518 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 32.5 t80 -165.13 138.04 3.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.8 -35.76 2.58 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.352 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.767 0.318 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 50' ' ' PRO . . . -78.83 151.97 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 t -173.84 156.82 2.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.45 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 45.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -86.66 116.1 24.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -83.73 113.7 21.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -113.71 110.41 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.38 113.37 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -93.0 159.74 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 61.55 43.93 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.83 145.9 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -134.14 148.26 50.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.7 mm -46.37 -21.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -79.04 -38.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -39.54 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.88 -177.36 29.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 92' ' ' ALA . 20.7 m -96.74 110.09 22.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 111.148 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -89.51 116.97 28.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 m -106.87 113.58 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.15 114.74 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.93 135.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.94 95.48 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -84.6 147.19 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 p -171.95 148.75 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 m -42.81 -38.63 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.1 p -61.31 -56.65 18.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.93 -146.06 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.29 131.91 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 t -131.61 161.9 31.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.6 p -142.86 148.71 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.8 t-105 -114.73 165.83 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m -122.52 140.8 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.468 ' O ' ' CG2' ' A' ' 76' ' ' THR . . . -170.4 161.85 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.8 p -145.97 122.1 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tp -92.34 126.45 37.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.57 91.6 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.3 t -80.36 122.13 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.7 p -114.28 164.12 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -75.18 -32.06 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' GLY . 3.3 m -99.99 -54.43 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.761 0.234 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -135.19 124.27 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.21 95.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.89 -41.58 46.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -153.05 106.22 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.1 -171.19 44.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.423 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.2 Cg_endo -69.81 -173.27 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.276 . . . . 0.0 112.359 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.4 161.6 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -66.46 105.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.71 138.82 52.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 m -104.5 94.92 5.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' CD1' HD11 ' A' ' 94' ' ' LEU . 41.2 mt -94.38 -178.37 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -122.42 131.74 54.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.552 ' CG2' ' CD1' ' A' ' 71' ' ' ILE . 52.6 t -33.73 143.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 60.61 48.95 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.5 -127.04 3.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.405 HG22 ' CD2' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -156.16 113.6 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.13 105.25 17.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' CD2' HG22 ' A' ' 25' ' ' THR . 3.6 mm? -104.64 87.39 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' CZ3' ' A' ' 42' ' ' TRP . 8.3 mp -88.66 114.53 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.37 147.65 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 t -161.87 110.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -121.38 128.16 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.39 135.01 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -109.34 139.99 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.8 174.0 38.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.45 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 12.9 t70 -142.92 122.32 7.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.69 169.11 64.66 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.356 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.86 130.6 66.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.73 151.25 69.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.4 t -98.06 87.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.8 mm -47.37 132.03 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -147.35 138.76 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CZ3' HD22 ' A' ' 28' ' ' LEU . 57.0 m95 -108.98 139.23 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 mt -126.08 118.08 24.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -85.81 99.01 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.59 34.33 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 46.91 6.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -154.64 146.6 23.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -51.92 136.72 28.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 9.7 t80 -165.95 139.7 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.77 -44.26 0.53 Allowed 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.321 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.01 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.2 t -134.31 158.78 42.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 m -85.34 94.79 9.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.14 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.76 111.85 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -111.97 117.73 33.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.6 mt -117.72 118.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -95.47 159.83 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 57.29 45.91 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -52.3 158.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 25.5 mtt180 -145.51 142.94 29.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.552 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 47.2 mm -38.83 -37.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 t -63.72 -42.66 97.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.7 m-20 -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.4 m -49.3 132.05 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.95 -161.69 27.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.6 m -116.82 93.44 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 147.4 50.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.9 m -133.94 100.96 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.454 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 16.3 t -82.13 101.62 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.87 142.23 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -120.85 99.48 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -83.68 149.28 26.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.9 t -173.01 140.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' SER . 30.3 t -36.78 -40.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -60.58 -65.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.04 -148.03 4.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -165.25 144.66 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.957 0.408 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 t -146.92 136.09 22.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 p -117.72 156.95 27.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.423 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 13.7 t-105 -120.45 175.95 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.8 p -136.96 131.39 32.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.57 179.76 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.1 t -149.92 152.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 20' ' ' LEU . 49.4 tp -128.49 95.86 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.13 106.0 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.447 HG12 ' CG2' ' A' ' 22' ' ' VAL . 98.0 t -95.89 131.61 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.415 ' OG1' ' CA ' ' A' ' 100' ' ' GLY . 64.4 p -117.75 128.5 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.03 -46.2 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -129.81 54.09 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.415 ' CA ' ' OG1' ' A' ' 97' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.708 0.212 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -118.31 139.49 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -93.62 88.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -38.89 -44.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -152.77 106.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.64 -164.94 35.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -172.5 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.78 159.57 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -62.0 105.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -115.58 149.44 38.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -116.75 98.91 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.7 mt -104.41 178.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -119.88 132.23 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG2' HG12 ' A' ' 96' ' ' VAL . 3.2 t -35.3 153.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 79.8 m-20 58.22 40.23 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.55 -132.29 4.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -155.72 117.03 3.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.09 116.25 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.8 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD21 ' CZ3' ' A' ' 42' ' ' TRP . 6.2 mp -77.72 122.86 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -96.98 132.57 42.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 t -156.6 112.56 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -126.66 127.23 44.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.97 152.45 42.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -125.26 156.44 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.56 162.97 11.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.43 118.45 21.59 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.05 38.26 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.349 0.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.12 135.2 89.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 152.76 69.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' ILE . 99.1 t -96.47 80.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' VAL . 44.4 mm -37.06 147.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -161.78 161.24 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.557 ' CZ3' HD21 ' A' ' 28' ' ' LEU . 83.4 m95 -131.23 132.74 44.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.5 mt -120.91 128.98 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -99.03 97.9 8.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 61.78 40.02 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.6 40.66 31.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -148.69 153.74 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -55.86 135.77 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 74.8 t80 -167.46 137.28 2.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.572 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.76 -21.94 9.92 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.5 t -163.9 175.91 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -93.13 97.7 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 42' ' ' TRP . 2.9 tt -67.76 117.05 9.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -117.7 117.89 30.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 mt -119.13 127.84 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -105.58 157.5 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 65.67 38.32 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.1 mt -39.47 153.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 73' ' ' ASP . 17.1 mtp85 -144.75 141.15 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.8 mm -39.44 -36.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.5 m -65.4 -42.98 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' ARG . 4.1 m-20 -43.5 -35.38 1.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.8 m -47.37 109.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.94 -167.78 18.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 92.8 m -105.11 96.01 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -68.49 141.19 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 84.8 m -134.1 110.38 9.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -87.05 111.47 20.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.13 128.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.31 92.26 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -82.05 145.12 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.2 p -160.45 151.02 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.1 m -38.4 -37.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 p -65.09 -64.72 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.3 -148.88 5.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -150.95 135.33 16.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 t -132.11 141.93 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -126.08 147.98 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 13.1 t-105 -109.28 177.94 4.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.9 p -135.7 134.84 39.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.51 -179.68 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.53 146.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.7 tp -114.68 124.46 51.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.79 94.63 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.449 HG12 ' CG2' ' A' ' 22' ' ' VAL . 92.1 t -90.46 122.19 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.9 p -118.3 127.53 53.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -48.39 -36.23 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.3 t -123.35 56.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.502 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.781 0.242 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.8 mt -132.61 135.86 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.409 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 38.1 mt -90.9 88.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.88 -58.74 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -125.69 89.25 3.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.84 -159.65 24.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.2 Cg_endo -69.81 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 152.77 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -70.89 105.22 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -116.18 142.19 47.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -107.72 95.32 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.4 mt -99.63 -175.77 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.52 136.16 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.62 148.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t70 69.46 36.77 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.35 -139.19 5.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.95 120.1 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.09 112.87 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 103.01 12.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.49 104.82 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -83.19 141.57 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 t -155.17 106.72 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -109.19 119.54 39.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.26 139.51 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -117.54 143.42 46.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.23 -173.27 41.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.467 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.5 p-10 -156.96 127.15 3.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.74 154.02 93.09 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -35.54 119.26 0.64 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' N ' HD13 ' A' ' 37' ' ' LEU . 53.4 Cg_endo -69.82 143.21 49.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.343 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.78 110.37 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.1 mm -69.98 133.59 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 m -139.76 138.63 36.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -110.93 124.46 52.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.7 mt -111.94 122.19 47.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -91.15 103.0 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 57.45 40.26 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.06 49.56 21.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -159.84 149.9 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.412 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.6 t -47.71 140.04 6.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 56.8 t80 -172.12 139.87 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.75 -37.29 2.03 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.332 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' NH2' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.63 147.03 26.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.1 t -153.87 167.28 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 88.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.43 ' CD2' HG13 ' A' ' 66' ' ' ILE . 4.8 tt -72.48 145.65 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -134.93 131.68 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.43 HG13 ' CD2' ' A' ' 64' ' ' LEU . 9.9 mt -136.62 121.9 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 2.2 mmmm -104.97 -176.77 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 41.58 34.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.77 165.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -147.01 153.24 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.1 mm -52.27 -16.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.0 t -85.18 -45.22 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -41.11 -35.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.6 m -40.15 100.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.86 -174.05 17.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 m -111.69 92.72 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -67.35 166.41 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.1 m -145.69 107.27 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.0 t -84.97 103.73 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.5 134.76 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.36 111.65 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -98.67 145.9 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 p -160.39 -178.63 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -73.1 -20.11 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.7 m -80.51 -54.33 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.47 -135.2 1.86 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -168.28 149.32 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.4 t -148.87 130.04 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.3 p -107.86 162.38 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.488 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 10.5 t-105 -130.18 176.59 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -129.91 142.85 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.84 151.97 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -141.07 133.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.8 tp -103.98 106.64 17.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -89.73 103.6 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.2 t -100.03 118.74 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -117.34 166.7 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -73.44 -35.36 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -117.27 38.69 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.563 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -99.11 108.76 21.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -85.65 93.29 8.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.9 56.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 m -122.59 169.75 10.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.389 . . . . 0.0 110.858 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -130.57 118.03 20.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.82 -162.18 33.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.05 25.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 131.15 20.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.662 2.242 . . . . 0.0 112.359 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.24 142.55 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.9 mt -99.87 87.74 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -39.77 -45.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -151.51 117.42 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.6 -170.95 21.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 156.74 62.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.8 168.22 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -73.38 102.63 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.42 ' NE2' HD11 ' A' ' 28' ' ' LEU . 14.2 pt20 -117.81 138.53 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.6 m -106.09 94.19 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.8 mt -94.67 172.84 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.27 130.93 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.411 HG22 ' CG ' ' A' ' 23' ' ' ASP . 5.4 p -41.79 151.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' CG ' HG22 ' A' ' 22' ' ' VAL . 5.1 m-20 71.27 30.88 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.9 -158.76 10.05 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -121.8 120.54 34.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.93 125.08 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -119.67 106.28 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.494 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 2.6 mm? -99.44 102.96 14.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.32 139.16 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -155.12 112.18 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -122.86 123.41 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.75 143.91 49.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -115.98 150.53 37.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -175.6 166.55 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 36' ' ' PRO . 37.2 t0 -134.98 93.13 17.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.3 Cg_endo -69.69 -177.64 14.87 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.65 147.12 86.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.84 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.61 102.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 41' ' ' SER . 42.0 mm -58.85 139.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 40' ' ' ILE . 21.4 m -156.17 140.03 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 84.8 m95 -111.14 123.61 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.77 119.7 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -93.27 102.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 59.05 31.37 21.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.14 41.0 9.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.19 146.12 28.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.962 0.41 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -52.58 130.79 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 35.5 t80 -164.19 140.55 5.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.81 -33.79 3.3 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.323 0.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.94 -81.43 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.552 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -121.92 77.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -147.62 123.97 5.49 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.617 0.723 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -47.98 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -62.8 -45.76 91.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.47 144.78 33.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -165.31 169.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 59' ' ' GLN . 48.6 mt -129.3 137.77 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.46 ' N ' HG22 ' A' ' 58' ' ' ILE . 79.8 mm-40 -89.27 169.09 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.72 -27.68 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' GLY . 28.8 mt-30 -96.19 45.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 35.42 47.3 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.7 m -104.11 107.73 18.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.489 HD12 ' CD2' ' A' ' 42' ' ' TRP . 1.3 tt -78.24 110.9 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -112.53 121.24 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 mt -124.15 123.4 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -101.31 156.64 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.0 45.42 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.2 mt -45.72 171.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -152.92 143.6 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.1 mm -52.62 -20.83 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -84.42 -29.18 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -55.24 -35.7 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.5 m -38.77 116.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.27 -169.19 24.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 m -102.9 111.24 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -90.92 137.67 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -132.62 104.48 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.0 t -80.93 96.73 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 t -87.45 133.28 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -127.87 81.65 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.0 m -82.0 133.77 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 85' ' ' SER . 60.5 p -135.63 150.82 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -37.41 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 83' ' ' SER . 3.1 m -69.1 -73.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 -139.74 3.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.473 ' CD ' ' C ' ' A' ' 87' ' ' GLU . 1.2 tm-20 -153.68 150.02 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -154.7 162.68 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.59 153.91 29.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -109.11 175.28 5.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.9 p -136.64 127.38 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.73 146.27 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -123.38 130.66 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.5 tp -99.96 97.66 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.35 111.21 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.9 t -98.51 119.12 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.4 p -115.05 163.86 15.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -81.39 -41.17 22.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.1 p -119.78 41.59 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -164.07 142.04 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.1 p -110.14 140.71 43.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.41 -162.49 24.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -151.37 113.65 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -163.42 175.31 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 -179.45 41.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.73 26.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 125.55 12.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.308 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mt -113.15 135.24 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.9 mt -94.24 94.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -46.33 -47.81 18.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -148.33 116.14 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.07 -169.07 29.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.5 Cg_endo -69.74 166.2 28.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.85 158.3 43.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -63.53 109.31 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -124.84 142.81 51.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -109.66 100.18 9.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -106.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.63 146.07 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.61 154.56 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.2 t0 71.04 29.65 2.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.73 -137.47 4.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.1 m -143.14 127.05 17.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.03 116.32 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -110.47 93.25 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 HD22 ' CD2' ' A' ' 77' ' ' TYR . 6.2 mp -84.5 103.15 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 134.04 50.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 t -156.43 114.28 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -124.25 135.08 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -146.21 145.87 30.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 t -114.82 150.2 35.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -172.88 165.15 37.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' PRO . 4.1 t70 -134.63 92.65 19.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.85 -178.39 16.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.282 0.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.94 147.16 88.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.463 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.79 148.79 65.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.82 88.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.0 mm -43.94 122.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -135.65 171.94 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 84.2 m95 -143.49 126.25 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -116.57 118.77 33.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 73' ' ' ASP . 23.0 tttt -93.87 101.83 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 62.52 36.37 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.16 42.0 25.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -148.11 142.57 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -52.76 135.67 35.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 1.4 t80 -168.84 142.87 2.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.8 -29.44 5.71 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.37 -0.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.46 -100.57 1.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -115.79 67.92 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -137.41 123.58 13.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.732 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -45.45 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' OD1' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -51.11 -44.34 61.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.22 158.64 15.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -174.75 172.18 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.57 119.7 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -66.5 -176.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.34 -26.32 66.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' GLY . 25.8 mt-30 -90.54 39.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 36.75 44.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 m -105.81 113.64 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 0.0 111.14 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.516 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -72.93 111.97 8.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -112.15 123.66 50.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 mt -131.39 124.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 68.3 mttt -104.4 178.3 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.428 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 5.8 m120 42.24 44.42 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -49.42 161.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -142.9 148.68 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -47.97 -21.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -80.08 -37.91 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.428 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 24.3 m-20 -44.24 -36.98 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -41.57 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.59 -172.55 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.6 m -102.6 114.66 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.184 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.478 ' CD2' HD22 ' A' ' 28' ' ' LEU . 40.3 m-85 -88.81 142.01 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 93.5 m -132.83 88.17 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.405 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 7.5 t -64.24 113.35 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -107.6 144.77 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -131.11 88.99 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 83' ' ' SER . 15.3 m -86.9 144.69 26.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.424 ' N ' HG21 ' A' ' 82' ' ' THR . 92.0 p -156.29 159.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 t -50.31 -31.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -72.67 -68.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.94 -135.42 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -170.41 148.56 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 t -143.21 165.68 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.9 p -150.43 158.75 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.467 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 13.2 t-105 -126.22 177.15 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.9 p -130.33 138.31 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -164.28 160.86 21.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.72 114.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.5 tp -87.54 145.52 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -125.59 105.6 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.89 116.84 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.8 p -112.49 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -77.28 -29.57 53.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -128.98 43.4 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 p -147.19 122.9 10.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -113.92 69.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 130.86 -87.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' GLY . 49.5 m 36.11 46.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -115.76 -65.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.62 145.89 44.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.53 30.68 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 119.91 6.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 11.7 mm -97.54 152.82 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 56.0 mt -113.7 102.39 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -52.82 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -133.94 102.9 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.56 -167.73 38.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.6 Cg_endo -69.76 -179.17 2.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.95 150.39 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -58.08 114.0 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -128.72 150.64 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.5 m -116.17 102.97 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 mt -107.62 179.12 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.98 144.15 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.79 162.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 55.46 49.36 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.09 -125.98 2.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -146.94 112.94 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 111.16 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.37 113.18 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mp -109.63 150.68 27.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.52 HD21 ' CZ3' ' A' ' 42' ' ' TRP . 7.4 mp -128.11 138.29 52.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.1 123.34 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 t -146.44 117.69 7.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.88 126.49 39.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.22 158.32 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 t -136.12 150.3 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.13 156.12 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.451 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.6 t70 -124.05 122.64 26.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.76 159.71 89.23 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.331 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.68 134.65 86.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 153.4 68.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' ILE . 71.3 t -96.85 82.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 50.1 mm -37.43 142.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -151.23 169.03 22.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CZ3' HD21 ' A' ' 28' ' ' LEU . 92.7 m95 -138.42 122.35 17.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.55 115.19 29.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -93.05 101.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 58.64 43.1 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.4 43.15 63.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -153.09 153.22 32.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.8 t -57.38 138.84 54.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.535 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 28.5 t80 -170.09 140.29 1.62 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.3 Cg_endo -69.79 -47.51 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.34 0.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.94 -96.89 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -132.29 31.22 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.49 141.07 45.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.69 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -69.96 -47.97 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HB1' ' CB ' ' A' ' 50' ' ' PRO . . . -72.74 110.14 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 t -134.29 172.81 12.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.9 mt -133.0 118.64 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.09 -177.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.28 -30.04 70.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -92.72 42.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 43.68 31.56 1.81 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -84.01 105.18 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.199 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 0.4 OUTLIER -73.25 109.04 6.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.19 130.92 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 mt -129.37 124.23 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -102.42 154.18 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.5 m120 63.23 50.86 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.45 162.89 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 71.0 mtt-85 -140.21 145.44 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.5 mm -49.35 -21.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -85.56 -29.51 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 70' ' ' ARG . 91.3 m-20 -51.71 -31.29 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.3 m -44.16 102.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.13 178.51 26.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.0 m -103.71 106.99 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -94.25 164.73 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m -144.25 125.34 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 5.7 t -89.07 103.51 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.59 141.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.96 91.4 3.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -83.18 133.36 35.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 p -146.16 151.49 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 t -38.9 -34.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -70.0 -70.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.48 -128.25 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -174.64 140.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.412 ' CG2' HD11 ' A' ' 11' ' ' ILE . 14.6 t -126.83 175.78 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.3 p -155.0 150.12 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.515 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 t-105 -128.82 112.31 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.5 p -70.17 144.5 51.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -174.19 156.25 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 94' ' ' LEU . 10.1 p -134.21 163.01 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 8.9 tp -126.89 139.68 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.59 106.33 13.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.0 109.31 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.2 p -119.68 161.33 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.56 -39.11 93.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -86.29 -51.31 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -94.1 -43.7 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -166.36 142.7 4.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.39 -84.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -88.44 -44.29 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -121.5 169.43 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.31 157.54 14.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 165.93 29.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 113.18 3.29 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mt -106.83 128.61 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.2 mt -85.29 86.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -41.84 -43.86 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -152.74 110.27 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.25 -164.83 34.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -166.8 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.65 147.99 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -59.62 113.96 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -127.62 142.51 51.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -109.26 99.24 8.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.99 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 171.46 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 97' ' ' THR . 8.5 p -91.33 151.68 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 64.6 29.18 13.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.16 -114.63 2.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -160.77 124.84 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 0.0 111.099 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.83 122.72 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -110.11 145.64 36.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.52 HD21 ' CZ3' ' A' ' 42' ' ' TRP . 5.9 mp -126.65 111.76 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -85.25 117.4 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.4 t -139.96 106.04 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -108.25 166.54 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.39 146.15 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -119.03 144.7 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.78 158.03 8.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.445 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -131.99 122.57 18.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.75 151.18 91.18 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.324 0.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.1 mt -47.13 140.59 6.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.36 60.16 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.738 2.292 . . . . 0.0 112.36 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.7 t -86.54 85.77 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.51 134.26 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -147.67 178.3 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CZ3' HD21 ' A' ' 28' ' ' LEU . 84.4 m95 -144.1 120.6 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.36 115.18 29.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -87.62 100.93 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 59.07 41.76 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.4 42.49 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -155.62 149.05 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -49.67 141.47 9.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.531 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 27.0 t80 -171.73 139.75 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.74 -3.06 7.43 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.339 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.8 -100.86 0.65 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -130.94 52.08 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.25 133.22 22.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -42.31 3.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -60.97 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' PRO . . . -72.91 164.73 26.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.6 t -168.9 160.09 9.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 73.7 mt -131.8 118.66 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -69.24 -175.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.28 -30.16 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' GLY . 66.2 mt-30 -95.76 49.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 34.78 46.26 0.59 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -98.99 91.6 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.103 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 42' ' ' TRP . 4.1 tt -71.3 111.46 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -115.83 122.56 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.4 120.12 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -96.11 161.33 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 54.79 51.89 13.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.1 mt -53.57 157.59 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 4.9 ptp180 -140.85 152.95 45.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -55.1 -17.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -86.45 -27.02 24.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -62.35 -14.81 43.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 96.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.76 175.76 31.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.6 m -92.74 124.79 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -99.45 153.94 18.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.6 m -137.92 115.27 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 25.3 t -89.99 107.26 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.69 134.47 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.81 97.3 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 m -92.45 149.61 21.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.4 t -170.03 145.92 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' SER . 29.3 t -36.59 -40.83 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -63.05 -68.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.41 -150.98 5.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 88' ' ' THR . 37.4 tt0 -160.94 156.42 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 10.1 t -154.04 168.96 24.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.1 p -148.47 149.76 32.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 -123.09 157.9 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.2 p -112.49 145.94 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.47 149.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.01 143.47 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.9 tp -114.0 108.79 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.23 96.2 10.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.34 124.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' VAL . 33.9 p -118.77 179.78 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -89.65 -22.0 22.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.3 m -110.53 -41.08 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -63.6 125.47 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.367 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -88.47 138.7 31.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.73 79.35 1.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 6' ' ' SER . 74.1 m -75.56 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' SER . 82.5 p -38.19 155.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.41 -161.35 23.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 169.87 17.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.8 mt -117.15 119.45 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' CG2' ' CA ' ' A' ' 14' ' ' GLY . 90.8 mt -72.12 92.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -59.01 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.72 79.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.422 ' CA ' ' CG2' ' A' ' 11' ' ' ILE . . . -66.93 -163.4 1.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.5 Cg_endo -69.78 -165.76 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -69.46 108.1 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.06 140.29 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -111.14 96.98 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -103.37 175.74 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 141.54 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 p -48.55 150.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 66.64 39.29 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.35 -127.35 3.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.2 m -163.72 114.71 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 111.159 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.19 125.76 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.19 99.62 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD23 ' CZ3' ' A' ' 42' ' ' TRP . 5.5 mp -88.29 108.05 19.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -92.64 115.31 27.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.65 86.54 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -83.99 127.64 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.9 149.85 42.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -118.53 140.02 50.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.76 138.8 2.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 t70 -114.2 122.78 33.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.8 169.52 63.13 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -53.38 133.27 53.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 151.67 69.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.635 2.224 . . . . 0.0 112.372 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 80.3 t -89.83 83.87 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mm -48.47 107.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -112.65 -176.59 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.53 ' CG ' ' CD1' ' A' ' 64' ' ' LEU . 88.1 m95 -155.73 129.98 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.9 mt -121.76 118.48 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -89.84 97.91 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 58.6 45.36 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.78 27.64 68.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.47 151.22 51.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -49.52 137.68 14.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.531 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 12.2 t80 -162.01 138.17 5.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.82 -43.74 0.58 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.347 0.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.57 76.0 1.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 36.9 42.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 1.8 t70 -77.03 141.31 67.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 53' ' ' ASP . 53.9 Cg_endo -69.75 -43.74 2.49 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -91.13 -28.47 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.75 147.58 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.3 t -161.31 176.11 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt -126.14 125.03 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 60' ' ' GLU . 1.1 mp0 -66.09 148.71 51.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' GLN . 29.8 mt-10 -37.42 -34.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -81.66 -48.91 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.15 -30.51 0.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -39.87 104.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.53 ' CD1' ' CG ' ' A' ' 42' ' ' TRP . 5.8 tt -71.32 124.99 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -121.74 126.32 48.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.1 125.59 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -105.58 159.43 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 59.24 43.88 16.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.53 162.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 11.7 mtp-105 -149.86 143.37 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.1 mm -40.22 -26.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' ARG . 27.1 p -75.62 -44.66 41.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ARG . 75.0 m-20 -41.37 -35.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -39.26 117.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.2 -163.66 22.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.3 m -121.98 106.87 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.458 ' CD2' HD21 ' A' ' 28' ' ' LEU . 49.0 m-85 -85.88 138.16 32.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 93.6 m -118.31 98.39 6.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.3 t -70.23 118.52 13.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.54 127.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.63 89.63 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -82.13 137.52 34.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.2 p -155.98 150.42 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -49.57 -25.56 2.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -77.25 -53.94 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.4 -150.24 5.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -169.8 141.97 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 89' ' ' SER . 8.5 t -138.21 -176.61 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.403 ' N ' ' OG1' ' A' ' 88' ' ' THR . 45.7 p -154.65 159.48 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.408 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 7.0 t-105 -136.39 172.24 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 t -133.42 142.83 48.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.68 146.46 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -121.62 130.35 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.2 tp -105.82 87.57 2.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.35 111.96 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.8 t -103.44 126.06 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.3 p -124.52 167.42 14.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -81.85 -35.63 29.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.0 m -123.84 42.77 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -144.55 137.04 26.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -58.23 96.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.89 -173.14 33.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.6 p -125.36 37.3 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -122.51 154.11 38.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.67 -159.31 23.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 167.72 23.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.49 4.12 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.342 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 15.1 mm -109.55 153.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 61.6 mt -101.83 86.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -45.48 -44.78 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -153.48 106.39 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.79 -165.32 37.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -165.55 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.03 171.68 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.89 115.88 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.08 146.2 51.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 m -117.54 103.59 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 42.5 mt -108.24 -179.08 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.76 176.03 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -95.39 147.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 68.41 36.21 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.72 -116.45 2.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -159.55 123.57 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -102.88 112.47 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 27' ' ' LEU . 4.2 mm? -102.49 114.7 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.57 ' CD2' ' CE1' ' A' ' 77' ' ' TYR . 5.9 mp -98.97 141.95 31.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 124.0 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.21 122.77 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -129.7 121.92 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -129.21 141.72 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.062 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -114.54 140.57 48.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.02 161.35 30.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 36' ' ' PRO . 8.9 t70 -133.93 104.44 11.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.74 174.31 40.99 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.346 0.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.24 139.21 97.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 54.0 Cg_endo -69.76 160.75 48.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.63 86.06 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mm -49.64 119.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -131.03 176.15 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.56 ' CZ3' HD22 ' A' ' 28' ' ' LEU . 72.9 m95 -143.83 141.14 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.4 mt -128.01 118.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 24.0 tttt -80.28 102.84 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 53.79 28.62 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.56 21.77 33.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -127.38 149.81 49.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -45.05 135.85 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.529 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 10.2 t80 -169.32 138.24 1.65 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.78 -27.61 6.73 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.358 0.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.66 37.85 5.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.548 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 54.54 46.61 24.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.332 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -104.13 151.55 39.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.604 0.716 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -39.31 6.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.367 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -57.73 -56.77 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.67 155.43 16.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.9 t -162.1 166.17 26.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.452 ' CD1' HD13 ' A' ' 64' ' ' LEU . 1.7 mm -113.85 131.46 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -111.98 157.9 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 46.69 28.32 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 49.97 43.48 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.03 -39.83 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.3 m -74.82 88.82 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.463 ' HB2' ' NE1' ' A' ' 42' ' ' TRP . 5.9 tp -66.45 119.62 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -116.06 150.1 37.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.6 mt -136.11 146.15 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -124.37 150.84 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.0 48.65 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.7 mt -53.13 156.45 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -146.22 144.9 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.52 -22.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.3 p -80.23 -37.59 32.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' THR . 1.3 m-20 -49.79 -35.88 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASP . 35.4 m -37.94 111.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.075 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.73 -166.34 19.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.455 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.7 m -122.15 105.82 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 111.147 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.57 ' CE1' ' CD2' ' A' ' 28' ' ' LEU . 1.2 p90 -86.52 159.36 19.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 98.7 m -130.4 108.26 9.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 9.0 t -79.07 104.54 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.85 138.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -122.76 91.91 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 83' ' ' SER . 8.1 m -82.09 153.32 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 82' ' ' THR . 37.1 p -167.1 151.33 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.3 t -45.93 -22.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -78.9 -65.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.17 -141.87 3.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -172.34 125.16 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 t -129.13 152.09 49.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.5 p -134.87 155.04 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -119.9 -177.0 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.0 p -147.06 138.73 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.26 162.48 14.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.3 t -129.33 143.89 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 tp -121.92 121.71 37.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.1 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.34 120.97 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.5 p -111.05 178.8 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -83.69 -37.25 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 100' ' ' GLY . 54.8 m -98.89 -51.49 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -62.39 -49.67 74.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -121.09 142.65 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.1 179.24 21.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 48.96 40.81 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -85.03 -49.14 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.23 157.04 23.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 169.95 17.68 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 123.05 9.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.1 mt -108.91 127.85 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 mt -79.69 81.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -40.3 -38.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -162.83 110.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.89 -160.92 34.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.1 Cg_endo -69.72 -169.87 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.367 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.6 156.54 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 106.84 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -123.31 136.52 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -103.6 100.26 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 71.7 mt -104.77 -179.6 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.85 143.25 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.75 157.37 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 56.98 51.09 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.78 -117.63 1.46 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -159.13 116.77 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -104.71 117.26 33.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -110.68 116.23 30.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.9 mp -100.32 97.43 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -66.28 135.85 55.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 t -155.47 140.0 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -143.69 134.45 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.7 130.39 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -103.55 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 169.41 17.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 6.0 t70 -143.21 123.03 7.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.7 149.8 89.0 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.337 -0.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' CD1' ' HD2' ' A' ' 38' ' ' PRO . 4.7 tp -37.79 136.88 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 37' ' ' LEU . 53.9 Cg_endo -69.82 172.68 12.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -117.65 88.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mm -44.35 124.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 m -134.77 133.33 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.518 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 81.8 m95 -110.46 119.11 38.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.9 mt -107.79 109.26 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -82.74 105.83 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 55.25 40.72 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.63 49.04 20.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -156.49 148.11 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -52.71 129.85 30.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.531 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 43.6 t80 -158.53 138.04 8.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.77 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.318 0.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.19 -115.98 5.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -103.31 89.4 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -170.36 131.72 0.94 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -46.3 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -51.6 -55.25 20.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.438 ' CB ' ' HB3' ' A' ' 50' ' ' PRO . . . -84.59 130.85 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -161.3 160.84 30.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.8 mt -109.26 155.44 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -100.12 -176.58 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.16 -9.32 55.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -120.84 46.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 40.85 50.62 4.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 m -108.51 99.67 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 112.19 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -110.23 135.45 50.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.02 126.02 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -103.99 153.48 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 60.77 48.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.33 160.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -138.14 147.48 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.14 -20.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -87.41 -31.2 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -50.34 -24.97 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.9 m -47.77 100.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.92 -177.55 20.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -107.25 95.59 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.53 ' CD2' HD21 ' A' ' 28' ' ' LEU . 54.8 m-85 -75.48 149.18 38.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.4 m -128.6 115.2 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.2 t -88.4 100.3 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 p -111.86 125.17 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -110.0 95.14 5.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -79.67 154.83 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.1 p -167.13 151.06 6.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 m -42.05 -39.7 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.8 t -60.91 -70.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.37 -139.63 3.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -165.34 141.11 5.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 t -138.58 156.93 47.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -142.42 153.88 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.462 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 12.6 t-105 -121.96 -177.29 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 99.4 p -137.76 139.33 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.51 168.31 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.5 p -153.33 140.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.429 HD23 ' CG2' ' A' ' 96' ' ' VAL . 14.7 tp -106.96 113.77 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.98 87.12 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.429 ' CG2' HD23 ' A' ' 94' ' ' LEU . 74.8 t -83.92 118.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.6 p -131.0 168.15 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.61 -36.62 78.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.5 p -89.69 -27.86 19.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -93.58 -61.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 m -74.99 126.6 31.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.16 -154.21 16.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -117.66 130.66 56.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -99.23 95.33 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.95 -151.15 17.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 169.51 18.9 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.325 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 118.46 5.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -119.29 127.99 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -86.3 95.87 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.45 -55.73 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -124.61 87.45 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.11 -170.21 45.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.7 Cg_endo -69.74 -178.12 2.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.97 141.39 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -52.71 107.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -120.96 156.0 33.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.6 m -123.43 107.38 11.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.2 mt -114.61 171.72 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 153.36 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 23' ' ' ASP . 7.3 p -63.76 162.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' N ' ' CG2' ' A' ' 22' ' ' VAL . 12.2 t70 59.61 32.21 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.7 -162.92 11.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 m -119.15 120.94 38.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 111.15 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.17 114.25 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.42 107.04 16.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 77' ' ' TYR . 7.1 mp -92.4 134.13 35.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.02 139.1 38.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 t -161.19 108.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -116.75 112.66 21.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.29 149.31 39.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 t -123.58 135.44 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.72 166.51 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.44 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 15.1 t70 -140.67 122.01 9.24 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.77 150.47 90.24 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.334 0.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -40.16 133.37 1.52 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.81 165.67 30.25 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.16 92.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mm -52.84 128.47 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 m -141.76 148.71 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ3' HD21 ' A' ' 28' ' ' LEU . 80.4 m95 -120.26 120.48 36.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -104.23 112.57 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.532 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tttm -95.74 106.95 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 60.63 34.05 20.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.6 46.14 49.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.98 139.7 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -40.55 130.82 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 3.5 t80 -161.75 140.15 7.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.689 0.757 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.2 Cg_endo -69.78 -2.9 7.41 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.359 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 -98.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -134.45 91.6 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -154.47 136.39 9.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -51.22 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -51.32 -49.67 60.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HB3' ' CB ' ' A' ' 50' ' ' PRO . . . -87.43 145.51 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -163.6 161.74 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 73.6 mt -108.92 96.27 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.51 -176.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.427 ' C ' ' CG ' ' A' ' 61' ' ' GLN . 20.5 tt0 -48.95 162.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.427 ' CG ' ' C ' ' A' ' 60' ' ' GLU . 3.2 pt20 42.32 52.77 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . 40.14 46.32 3.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.3 m -92.95 93.19 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.134 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.502 ' CD1' ' CG ' ' A' ' 42' ' ' TRP . 1.4 tt -60.03 144.93 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -145.67 122.02 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt -124.71 112.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -93.72 147.32 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 66.94 53.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.62 164.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 63.4 mtp180 -144.86 137.5 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.4 mm -39.73 -29.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' ASP . 20.2 t -77.63 -42.63 34.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 52.6 m-20 -37.71 -38.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.9 m -38.86 99.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.95 -177.04 21.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 84.9 m -111.15 112.61 24.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 111.119 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.517 ' CE2' HD22 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -100.78 156.9 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.9 m -135.03 116.34 14.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.4 t -83.6 106.12 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 81' ' ' ALA . 1.1 p -114.72 139.4 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -121.92 98.61 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -83.32 150.29 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -166.8 157.84 12.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -52.12 -27.43 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.0 m -71.73 -66.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.23 -138.34 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -173.52 139.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.2 t -141.91 161.1 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -141.53 146.02 35.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.443 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.8 t-105 -118.85 122.25 41.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.8 p -79.74 142.85 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.05 161.84 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' A' ' 94' ' ' LEU . 8.9 p -142.02 162.0 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.409 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 5.9 tp -131.82 122.29 25.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -102.94 118.02 35.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.64 116.3 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' A' ' 100' ' ' GLY . 68.7 p -106.83 -178.5 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -98.36 -25.16 14.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.2 p -127.37 34.95 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.413 ' N ' ' HG1' ' A' ' 97' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m 56.93 45.85 20.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -42.29 -45.53 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.18 121.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -102.91 146.32 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -112.2 37.97 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.96 148.14 17.37 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 164.94 32.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.735 2.29 . . . . 0.0 112.305 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.64 16.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.46 128.0 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -81.58 85.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -39.09 -46.02 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -155.28 105.95 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.08 -157.64 33.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.9 Cg_endo -69.71 -178.49 2.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.18 154.44 27.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -64.93 105.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.05 147.7 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -114.45 96.03 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 23.5 mt -98.63 170.74 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.6 138.25 38.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.79 159.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 62.17 38.02 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.45 -140.58 4.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 m -140.12 127.9 21.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -109.79 110.28 21.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.36 107.79 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 HD23 ' CZ3' ' A' ' 42' ' ' TRP . 5.8 mp -95.88 104.69 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -77.97 144.14 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -166.33 133.43 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -145.79 133.57 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.17 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t -99.73 152.56 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.04 168.69 21.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.8 t70 -140.66 122.13 9.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.77 163.7 81.17 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.351 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.33 133.21 42.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.676 0.75 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 163.05 39.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.53 82.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 41' ' ' SER . 26.0 mm -44.81 141.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 40' ' ' ILE . 2.4 m -151.37 143.16 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.567 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 85.3 m95 -111.96 126.8 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -118.47 110.91 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 11.1 ttmt -86.33 109.53 19.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.55 39.83 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.27 41.61 68.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' THR . 92.9 m-85 -148.36 142.73 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' PHE . 11.3 t -37.57 144.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 9.8 t80 -174.94 137.54 0.57 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.698 0.761 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.574 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.3 Cg_endo -69.81 -17.88 11.89 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.329 0.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.83 -122.88 6.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -112.44 49.14 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -97.08 136.62 21.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -73.89 -46.09 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' HB3' ' CB ' ' A' ' 50' ' ' PRO . . . -77.69 135.91 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 t -175.26 159.64 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 mt -93.04 142.65 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -92.62 -74.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' GLN . 36.6 mm-40 -100.01 65.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' GLU . 14.9 pt20 34.44 38.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.88 -25.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.5 m -91.39 78.54 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 111.176 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 42' ' ' TRP . 1.4 tt -53.33 155.86 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -148.6 126.63 12.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.406 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 12.3 mt -130.31 111.89 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -95.58 152.14 18.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 61.89 43.59 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -42.73 165.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 73' ' ' ASP . 31.7 mtp85 -145.99 139.57 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 34.5 mm -39.51 -28.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.6 t -75.19 -41.18 58.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 70' ' ' ARG . 9.9 m-20 -38.09 -41.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.3 m -38.78 128.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.34 -140.84 3.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 53.5 m -136.75 108.65 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.453 ' CE1' ' HE3' ' A' ' 44' ' ' LYS . 83.6 m-85 -83.68 135.87 34.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.0 m -123.67 97.08 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.7 t -77.65 100.01 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.12 142.73 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.07 101.69 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 83' ' ' SER . 48.9 m -88.95 151.74 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 82' ' ' THR . 89.8 p -164.26 157.17 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -47.29 -32.57 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.7 m -73.27 -72.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.5 -148.92 4.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -164.45 140.02 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.5 t -136.36 148.24 47.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.4 p -125.66 145.9 49.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.402 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 12.2 t-105 -111.1 171.21 7.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.8 p -130.64 141.43 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -155.1 -178.77 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.2 t -156.4 121.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' CD1' HG22 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -104.72 115.55 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.425 ' N ' HD11 ' A' ' 94' ' ' LEU . 3.9 t70 -106.43 101.75 11.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.427 HG22 ' CD1' ' A' ' 94' ' ' LEU . 97.6 t -88.08 115.52 28.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.1 p -109.48 148.9 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.197 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -70.52 -45.74 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 p -118.03 42.32 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -108.47 130.81 55.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -116.51 160.31 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.57 -75.74 0.21 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -77.57 130.53 37.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -78.49 111.14 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.81 -158.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 169.89 17.84 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.364 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.7 Cg_endo -69.76 110.77 2.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.732 2.288 . . . . 0.0 112.346 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 14.3 mm -109.03 153.58 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.478 ' HB ' ' CZ3' ' A' ' 90' ' ' TRP . 41.5 mt -103.2 91.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.65 -54.98 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -127.57 91.92 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.08 -172.8 48.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 54.0 Cg_endo -69.73 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.44 149.55 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -60.11 110.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' NE2' HD12 ' A' ' 28' ' ' LEU . 6.5 pt20 -124.7 146.49 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.3 m -111.95 102.85 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.28 175.34 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.31 162.85 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 23' ' ' ASP . 14.6 p -81.54 144.47 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 22' ' ' VAL . 24.2 t0 64.52 45.23 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.81 -116.38 1.81 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -150.27 129.07 12.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.111 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.81 112.26 15.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -106.95 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.0 mm? -122.05 113.27 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 9.1 mptt -83.27 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.75 111.81 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.65 121.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -121.55 158.33 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.28 138.78 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.38 146.45 4.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.451 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 4.9 t0 -120.68 122.6 28.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.83 166.22 74.8 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.33 0.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD1' ' HD2' ' A' ' 38' ' ' PRO . 13.9 tp -52.4 135.27 42.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.9 Cg_endo -69.75 159.72 52.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.0 t -99.74 91.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.1 mm -54.19 131.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -140.37 161.82 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.552 ' CG ' ' CD1' ' A' ' 64' ' ' LEU . 94.9 m95 -134.59 128.37 33.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -119.9 116.81 26.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -94.36 99.81 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 32.3 mt-10 62.12 46.76 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.38 47.27 89.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CD2' ' O ' ' A' ' 45' ' ' GLU . 68.6 m-85 -153.11 146.33 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.2 t -50.65 135.25 23.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.526 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 5.9 t80 -163.42 138.87 5.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.79 -42.96 0.67 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.329 0.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.4 -100.84 1.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -75.4 -57.36 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.855 -179.819 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' ARG . 18.2 m-20 -32.69 96.0 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.729 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' ARG . 54.2 Cg_endo -69.68 -16.09 37.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.731 2.288 . . . . 0.0 112.369 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -66.57 -49.87 64.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.71 169.99 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -169.67 169.73 8.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.446 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 9.9 mt -129.66 132.85 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -91.51 177.34 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -50.01 -40.71 45.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -87.64 43.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.446 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . 39.55 31.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -81.53 109.77 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.552 ' CD1' ' CG ' ' A' ' 42' ' ' TRP . 3.2 tt -85.53 110.89 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -110.62 113.51 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 14.1 mt -103.51 129.14 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -111.77 145.18 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m120 69.91 45.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.2 mt -51.39 159.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 58.1 mtp180 -139.44 157.97 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.8 mm -58.86 -16.67 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -89.92 -17.72 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -32.75 73.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -46.69 116.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.21 -115.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 92.6 m -166.0 121.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 m-85 -94.33 148.89 21.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.0 m -133.58 102.46 5.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.24 114.4 17.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 p -123.49 132.39 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -122.55 100.17 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 83' ' ' SER . 11.3 m -85.34 154.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 82' ' ' THR . 23.0 p -173.57 147.68 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' SER . 1.3 t -37.77 -41.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -55.42 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.19 -132.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -173.32 148.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 14.5 t -151.69 159.99 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.8 p -138.21 162.93 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.478 ' CZ3' ' HB ' ' A' ' 11' ' ' ILE . 8.0 t-105 -129.07 164.14 23.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -123.59 144.39 49.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.91 146.32 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.12 120.17 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 94' ' ' LEU . 1.6 tm? -99.0 118.76 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.22 114.89 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' A' ' 94' ' ' LEU . 69.4 t -103.22 120.35 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' VAL . 61.4 p -114.1 -178.48 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -95.96 -16.54 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.0 m -112.28 -53.83 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -68.35 95.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -129.06 158.54 38.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.09 -112.35 0.3 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -44.59 -54.32 6.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -107.35 144.36 34.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.53 -173.53 13.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 158.69 56.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.748 2.298 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.9 Cg_endo -69.78 126.9 13.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 16.3 mm -100.39 158.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 65.4 mt -108.27 91.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -44.67 -43.61 8.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.75 112.95 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 -166.25 24.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.24 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.59 157.07 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -62.3 101.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -120.1 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -117.18 101.26 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -109.61 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.08 166.49 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 p -84.27 152.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 74.73 37.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.76 -123.33 2.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.9 m -160.83 124.07 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.24 106.13 16.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.53 97.51 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.507 HD22 ' CZ3' ' A' ' 42' ' ' TRP . 8.0 mp -79.39 128.62 33.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -98.87 117.53 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 t -143.21 124.79 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -134.04 127.52 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.82 148.15 50.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -125.26 137.04 54.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.2 170.97 35.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 28.2 t70 -137.04 125.74 15.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.73 168.76 66.23 Favored 'Cis proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.38 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.64 121.12 14.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.463 ' N ' HD13 ' A' ' 37' ' ' LEU . 53.3 Cg_endo -69.87 149.33 66.04 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -92.33 117.42 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.0 mm -74.33 108.14 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.84 132.33 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 79' ' ' CYS . 45.9 m95 -105.79 141.7 36.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 119.45 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -85.92 105.7 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.5 40.8 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.79 17.88 79.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -121.87 159.42 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -51.3 146.96 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 10.4 t80 -171.95 138.25 1.0 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.79 -41.0 0.98 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.331 -0.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . 91.23 80.53 1.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' GLY . 12.6 ptt-85 34.56 51.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 1.5 t70 -92.07 141.19 24.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 53' ' ' ASP . 54.4 Cg_endo -69.72 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -89.7 -38.39 13.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.31 119.29 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 t -139.72 169.53 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.8 mt -120.64 146.06 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 61' ' ' GLN . 13.9 mm-40 -87.42 149.39 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -42.12 -25.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 59' ' ' GLN . 16.5 mp0 -89.65 -39.86 12.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.61 -10.42 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 90.1 m -57.58 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.503 HD13 ' CG ' ' A' ' 42' ' ' TRP . 6.9 tt -71.43 130.86 42.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -127.58 126.99 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.69 96.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -76.05 153.89 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 58.44 53.76 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.4 mt -49.88 169.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 12.5 mtp-105 -157.93 146.81 19.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.5 mm -51.19 -27.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -79.29 -24.17 43.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -66.27 -24.28 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.3 m -48.8 106.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.36 -165.88 13.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.9 m -125.19 99.43 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 111.148 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.4 p90 -80.58 166.36 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 m -143.6 106.15 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 36.8 t -78.56 118.09 20.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 p -125.06 145.56 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -122.58 90.14 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -76.51 143.46 40.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -168.61 148.68 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.2 m -39.58 -42.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -58.17 -65.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.98 -143.72 3.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -172.5 114.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.941 0.4 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 15.4 t -114.78 153.04 31.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -133.48 155.04 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -129.34 141.71 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -102.78 141.4 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.26 149.8 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -122.33 149.43 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.7 tp -127.51 111.16 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.17 118.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.24 114.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 65.6 p -100.01 -175.6 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.81 -20.65 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 100' ' ' GLY . 9.3 t -121.82 -38.21 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -128.68 115.31 17.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -59.14 167.56 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.44 139.59 6.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -41.59 -50.21 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.826 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 m -74.37 130.59 39.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.94 -168.17 28.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.87 23.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 129.6 17.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.376 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.9 mt -124.35 140.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.1 mt -89.76 85.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -48.7 -58.26 5.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -125.78 82.76 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.81 -171.41 45.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.75 160.3 39.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 2.1 p30 -68.98 108.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -122.24 150.57 42.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -119.84 95.97 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 20.3 mt -97.88 176.25 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.53 140.49 37.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 23' ' ' ASP . 2.4 p -46.34 156.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 22' ' ' VAL . 63.7 m-20 62.33 36.97 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.14 -127.13 3.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 m -163.6 119.3 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -89.9 113.33 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.27 80.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 77' ' ' TYR . 10.6 mt -89.23 102.5 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -85.55 138.95 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.8 t -134.6 84.33 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -81.05 138.06 36.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.19 148.87 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -122.18 147.27 46.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.75 169.7 27.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.438 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 5.1 p-10 -141.6 121.98 8.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.598 0.713 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.5 Cg_endo -69.81 171.07 55.65 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.317 0.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.72 128.86 35.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.05 64.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -89.87 99.66 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.03 138.78 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -142.18 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CG ' HD13 ' A' ' 64' ' ' LEU . 98.1 m95 -153.89 135.54 14.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.3 mt -128.57 112.59 14.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -86.83 105.92 17.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 53.33 42.79 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.69 39.7 59.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -145.79 157.1 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 t -55.72 142.47 34.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 24.0 t80 -174.97 137.93 0.58 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.3 Cg_endo -69.68 -3.2 7.45 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.38 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.74 -115.38 7.75 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -119.24 54.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.78 133.77 20.83 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.232 . . . . 0.0 112.353 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -56.64 -54.86 41.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.59 140.95 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -156.82 165.41 36.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.1 mt -125.38 111.85 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.34 173.33 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -53.21 -40.52 64.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' GLY . 32.5 mm-40 -85.46 46.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 34.17 37.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 61' ' ' GLN . 4.9 m -89.72 94.44 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.504 HD13 ' CG ' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -61.93 94.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -99.23 120.37 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 mt -120.02 113.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -90.31 156.4 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 61.91 47.51 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 73' ' ' ASP . 37.2 mtp180 -145.92 140.11 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.6 mm -38.49 -27.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' ARG . 8.3 t -74.32 -43.76 55.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ARG . 1.9 m-20 -36.14 -36.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' ASP . 92.7 m -35.44 133.56 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.58 175.18 39.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.9 m -98.39 110.97 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' CD2' HD11 ' A' ' 28' ' ' LEU . 68.2 m-85 -85.39 148.5 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 91.1 m -139.23 105.28 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 46.6 t -83.76 116.85 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -108.18 123.09 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.39 100.01 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.3 m -93.9 151.26 19.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.4 p -174.93 153.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 t -45.67 -30.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.7 m -65.22 -55.23 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.97 -130.1 1.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -174.69 141.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 t -142.82 169.4 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.5 p -150.43 145.36 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -110.88 175.16 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.5 p -132.82 125.93 31.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -146.36 159.9 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.6 t -141.61 112.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.505 ' CD1' ' CG2' ' A' ' 96' ' ' VAL . 3.3 tm? -92.56 121.65 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.1 110.11 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.505 ' CG2' ' CD1' ' A' ' 94' ' ' LEU . 49.1 t -97.42 117.94 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.8 p -117.35 161.36 19.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -72.04 -39.77 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLY . 58.4 m -129.81 58.84 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -100.38 41.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -48.84 161.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.72 -108.4 3.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 m -74.22 157.37 36.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m 49.14 42.57 21.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.34 145.46 16.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.4 34.69 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 106.89 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mt -90.63 131.19 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' LEU . 63.5 mt -87.11 89.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' ILE . 19.6 mt -35.23 -42.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -169.27 107.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.79 -158.09 30.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.29 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.2 169.58 17.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -79.36 106.58 11.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.424 ' NE2' HD23 ' A' ' 28' ' ' LEU . 5.8 pt20 -128.63 140.23 51.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -102.47 103.31 13.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.4 -178.76 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.42 168.61 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 p -91.25 164.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.34 31.73 19.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.69 -135.92 4.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 m -138.51 123.28 18.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.38 119.02 38.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mt -111.21 118.25 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD23 ' NE2' ' A' ' 18' ' ' GLN . 21.9 mt -110.86 131.91 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -95.74 134.17 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -147.49 111.58 5.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -112.5 157.29 21.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.12 139.99 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -120.1 132.58 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.35 177.89 42.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.535 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.456 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.9 t70 -142.99 123.82 8.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.578 0.704 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.81 -179.81 20.3 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 0.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -62.16 123.44 78.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.64 0.733 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 142.25 47.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.7 t -85.89 109.58 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.51 120.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -123.73 -176.42 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CD2' HD13 ' A' ' 64' ' ' LEU . 91.1 m95 -152.92 136.23 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.06 113.61 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.555 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 33.4 tttp -83.64 100.41 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 60.1 45.45 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.69 79.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -154.6 155.05 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -50.88 139.39 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 45.1 t80 -172.31 138.76 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.521 ' HA ' ' CG ' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.75 -48.66 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.4 -126.56 8.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -97.25 48.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -116.97 126.12 27.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.1 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.288 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -46.37 -52.86 12.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.73 161.47 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -167.74 163.24 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.9 mt -126.02 129.44 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' GLN . 38.2 mm-40 -69.16 146.87 52.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mp0 -38.29 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' GLN . 31.9 mt-30 -82.85 -50.48 8.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.99 -16.87 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.5 m -48.52 111.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.172 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 42' ' ' TRP . 2.1 tt -79.17 113.74 17.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -110.8 116.58 31.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.8 mt -114.65 124.86 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -102.47 158.6 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 55.81 51.04 12.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -52.01 169.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 73' ' ' ASP . 23.1 mtm180 -155.06 140.85 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.5 mm -42.48 -23.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.3 t -79.89 -38.93 31.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 70' ' ' ARG . 16.6 m-20 -42.88 -35.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.4 m -42.65 115.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.64 -167.85 25.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.8 m -106.86 103.2 12.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.46 115.21 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.3 m -107.79 108.36 19.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.1 t -78.01 113.69 16.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.7 t -109.15 131.31 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.76 99.47 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -87.56 144.79 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 84' ' ' SER . 73.6 p -167.46 146.25 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' SER . 19.8 m -35.57 -44.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -52.45 -60.43 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.23 -128.64 0.98 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -174.77 142.41 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -141.01 170.86 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.8 p -150.92 159.17 44.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -124.71 -177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.0 p -137.73 134.58 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -154.62 153.1 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -132.16 108.11 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 tp -89.65 117.82 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.74 101.67 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -92.06 125.85 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 p -117.88 -175.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.9 m -118.22 39.19 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.546 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -125.18 135.55 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m 51.98 41.52 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.19 -60.91 7.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -122.96 124.14 42.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -86.13 -50.96 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.4 -149.27 10.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 169.59 18.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.379 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 130.77 19.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.33 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 11' ' ' ILE . 5.4 mp -110.69 141.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.457 ' N ' HG21 ' A' ' 10' ' ' ILE . 67.9 mt -94.53 92.27 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' CD2' HG22 ' A' ' 33' ' ' THR . 35.4 mt -49.82 -60.3 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -132.26 102.8 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.0 -164.46 35.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.8 175.39 8.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.52 154.12 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -67.79 102.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -117.06 137.22 52.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.2 m -111.24 101.39 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 mt -106.98 177.74 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.2 147.21 24.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -59.84 158.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.33 40.53 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.66 -127.3 2.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.444 ' N ' HD13 ' A' ' 69' ' ' LEU . 28.0 m -149.44 136.07 19.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.327 . . . . 0.0 111.159 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.21 112.21 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 27' ' ' LEU . 4.6 mm? -107.63 115.15 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 2.2 mm? -97.75 115.35 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 125.52 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.4 145.16 30.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -158.96 124.48 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.51 134.26 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.438 HG22 ' CD2' ' A' ' 12' ' ' LEU . 14.6 t -108.82 150.75 27.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.67 -170.25 34.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 9.9 t70 -156.54 124.27 2.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.8 159.87 89.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.86 121.79 8.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.16 41.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.54 111.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.35 145.58 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -154.27 160.0 41.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CD1' HD12 ' A' ' 64' ' ' LEU . 94.6 m95 -131.42 126.56 35.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.5 mt -117.69 116.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -87.31 103.82 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 55.23 40.01 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.25 47.58 12.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -157.24 151.09 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 t -45.46 140.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 36.5 t80 -169.71 137.96 1.51 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.74 -36.98 2.14 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.329 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.61 -166.32 43.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -65.94 84.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.1 133.15 7.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.577 0.703 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -51.02 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -53.77 -56.57 16.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.79 133.61 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -163.2 160.15 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 59' ' ' GLN . 54.5 mt -94.88 140.76 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' N ' HG23 ' A' ' 58' ' ' ILE . 13.4 mm-40 -87.03 -68.6 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' GLN . 23.5 mm-40 -122.16 68.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' GLU . 40.2 mt-30 36.99 46.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.98 -55.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.7 m -71.74 87.43 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.7 tt -65.63 149.85 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -138.07 136.09 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 mt -136.04 110.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -95.31 159.84 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 56.89 44.79 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.444 HD13 ' N ' ' A' ' 25' ' ' THR . 18.8 mt -48.19 162.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' ASP . 10.4 ptm180 -156.81 143.68 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' ARG . 48.5 mm -34.67 -35.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ARG . 47.1 t -61.48 -50.6 72.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ARG . 15.5 m-20 -38.07 -43.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' ASP . 95.7 m -35.28 97.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -153.13 176.79 31.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.8 m -98.76 116.49 31.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.168 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 65.6 m-85 -92.88 152.42 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.0 m -138.13 110.69 7.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.68 101.16 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.67 134.27 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.56 95.77 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -84.91 155.97 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 p -172.26 148.95 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' SER . 2.0 m -34.98 -44.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.9 m -58.31 -62.83 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.9 -146.65 4.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -150.76 140.87 22.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 t -135.91 157.0 47.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.3 p -142.14 163.05 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -132.63 165.69 23.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.9 p -118.47 138.46 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -166.38 165.0 17.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.2 t -150.2 146.47 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 tp -118.83 95.58 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.75 110.64 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.15 122.59 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 p -115.65 157.02 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.42 -39.96 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.6 t -114.46 43.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -71.51 124.21 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -48.58 148.42 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.92 -138.88 2.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -64.19 -59.91 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.819 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 m -84.4 155.37 22.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.65 -165.03 10.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.88 29.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.392 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 87' ' ' GLU . 54.5 Cg_endo -69.73 125.41 12.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.75 138.56 25.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 12' ' ' LEU . 29.8 mt -93.85 86.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' ILE . 48.6 mt -35.45 -38.9 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -167.21 107.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.25 -162.75 37.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 177.34 5.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.54 143.71 18.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -52.36 114.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -127.22 147.73 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -119.81 103.11 9.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.4 mt -109.61 -176.35 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.7 155.4 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.9 148.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.84 50.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.01 -128.43 2.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -147.52 131.32 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.142 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.98 113.63 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -107.74 143.44 36.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.58 ' CD1' ' CE1' ' A' ' 77' ' ' TYR . 2.1 mm? -119.05 107.27 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -77.28 133.68 38.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.07 131.84 12.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -143.85 127.0 16.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.78 147.87 46.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -115.38 149.45 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.73 166.0 19.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.6 t70 -139.31 122.78 10.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.75 165.15 77.36 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.335 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.7 131.43 27.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.6 Cg_endo -69.8 153.15 69.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.42 90.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.1 mm -62.05 110.19 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.1 m -124.96 173.59 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 67.9 m95 -138.35 135.22 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -120.06 107.89 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -84.31 102.96 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 61.54 34.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.9 44.85 29.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -155.79 146.6 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -42.9 132.33 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.169 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 58.6 t80 -166.52 139.74 3.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.74 -45.49 0.42 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.318 -0.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.46 -128.48 9.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.33 -36.86 58.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -37.48 105.69 0.32 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -24.37 29.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.07 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -111.01 139.66 46.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -146.81 159.83 43.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 64' ' ' LEU . 5.3 mt -123.56 124.2 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -62.47 -179.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -72.29 1.26 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -113.8 32.65 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.48 18.65 7.66 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.0 m -86.54 100.37 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' HG21 ' A' ' 58' ' ' ILE . 4.3 tp -75.9 137.32 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -133.28 138.48 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.5 mt -133.04 124.15 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -105.21 162.24 13.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.66 44.66 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 mt -48.68 165.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 73' ' ' ASP . 18.6 ptt180 -157.1 138.84 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 28.4 mm -35.65 -31.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.0 t -68.79 -46.76 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ARG . 44.2 m-20 -42.69 -36.11 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -37.44 101.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.11 -175.73 22.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 92' ' ' ALA . 97.8 m -111.86 104.92 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.58 ' CE1' ' CD1' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -87.51 142.66 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 m -125.98 112.37 15.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.435 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 22.7 t -84.42 99.76 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -106.3 137.82 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -123.57 93.55 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -82.6 154.38 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -168.73 148.29 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -40.44 -37.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 m -64.66 -68.54 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.818 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.35 -143.96 3.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.5 tm-20 -167.63 147.03 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.7 t -148.48 148.47 30.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.8 p -135.95 141.98 44.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -107.98 169.68 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.1 m -129.3 145.78 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.433 ' O ' ' CG2' ' A' ' 76' ' ' THR . . . -174.76 171.87 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.67 143.67 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tp -115.15 115.98 27.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.0 106.59 18.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -92.37 118.56 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.9 p -111.5 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -92.45 -26.72 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -126.08 26.78 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -69.34 128.94 38.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -123.7 140.25 53.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 87.79 -103.21 2.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 98.1 p 35.49 43.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t -69.24 166.21 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.59 179.45 15.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 169.58 18.61 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 115.04 3.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -101.48 144.59 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 33.3 mt -95.79 93.21 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.6 mt -47.26 -50.8 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -133.6 90.94 2.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.97 -171.96 47.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.5 Cg_endo -69.79 151.4 68.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.92 171.88 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -82.2 105.83 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' NE2' HD12 ' A' ' 28' ' ' LEU . 14.5 pt20 -120.25 143.18 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -113.2 97.85 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.4 mt -101.27 -175.24 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.93 130.37 56.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 23' ' ' ASP . 7.3 p -40.63 160.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.414 ' N ' ' CG2' ' A' ' 22' ' ' VAL . 21.0 t70 60.14 37.14 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.44 -136.04 4.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 m -148.9 117.07 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' CB ' HD23 ' A' ' 94' ' ' LEU . . . -101.44 122.58 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -109.66 108.55 18.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 3.0 mm? -94.65 106.42 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -79.95 122.69 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.9 t -144.29 115.16 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -128.54 133.04 48.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.02 140.27 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 t -109.21 149.48 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.65 153.89 6.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.1 m-20 -126.34 122.01 23.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.78 158.41 91.11 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.349 0.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD1' ' HD2' ' A' ' 38' ' ' PRO . 4.3 tp -53.9 138.6 54.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 37' ' ' LEU . 53.7 Cg_endo -69.74 163.78 36.97 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.44 82.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -43.08 135.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.151 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -146.14 176.4 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 98.6 m95 -143.54 130.85 20.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -120.13 119.07 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 42.8 tttt -91.73 107.37 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 51.31 40.9 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.26 33.84 52.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -140.5 153.61 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.968 0.413 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 t -51.67 141.64 16.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.527 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 21.9 t80 -169.82 137.93 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.743 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.83 -32.78 3.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 -1.814 . . . . 0.0 112.325 0.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.53 -111.13 2.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -78.82 44.84 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 17.7 m-20 -133.22 102.34 13.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 53' ' ' ASP . 53.2 Cg_endo -69.82 -47.51 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.643 2.229 . . . . 0.0 112.347 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 -47.09 -48.4 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 160.76 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.5 t -173.52 160.16 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.434 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 5.1 mp -114.93 125.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -78.98 167.96 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -46.73 -40.51 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -84.43 40.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.434 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . 39.19 52.56 2.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 m -109.67 107.25 17.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.485 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 0.6 OUTLIER -77.82 108.7 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -108.8 122.61 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.13 124.1 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -101.51 157.49 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 57.78 49.6 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -52.79 164.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -150.53 151.65 32.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 mm -50.41 -30.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.8 t -69.17 -40.8 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' THR . 9.0 m-20 -46.55 -38.7 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASP . 87.6 m -36.19 127.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.28 -152.39 11.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 83.2 m -127.86 119.49 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.177 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -96.64 129.36 44.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.0 m -117.69 102.57 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.18 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.93 122.79 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.06 94.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.448 ' HA ' ' CB ' ' A' ' 87' ' ' GLU . 25.7 m -84.92 152.12 23.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.3 p -168.19 175.93 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 t -65.28 -31.77 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -86.54 10.82 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.73 -170.7 13.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -138.82 172.36 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.4 t -146.42 -179.01 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.0 p -154.46 154.81 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.6 t-105 -128.67 171.27 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.2 p -126.16 137.36 53.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -169.59 150.58 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.7 t -133.61 130.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 26' ' ' ALA . 48.7 tp -104.34 95.79 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.11 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -96.02 112.56 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.4 p -108.35 167.24 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.37 -49.16 9.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.1 m -101.69 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 t -119.24 121.52 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -163.94 171.18 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.88 -131.82 1.98 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -119.52 38.94 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -54.76 -57.81 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.44 143.71 4.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 163.48 38.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 121.53 8.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -112.48 127.09 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.3 mt -81.65 84.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.84 -54.79 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -130.0 94.23 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.03 -172.85 43.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.4 Cg_endo -69.73 -177.87 2.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.64 167.21 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -72.64 109.72 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' NE2' ' CD2' ' A' ' 28' ' ' LEU . 11.1 pt20 -126.34 140.44 52.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -104.91 94.8 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.4 mt -102.46 -177.83 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.39 167.18 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -87.95 151.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t0 66.42 48.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.18 -127.19 2.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -151.5 110.68 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.148 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.28 101.43 13.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 27' ' ' LEU . 4.0 mm? -87.35 104.8 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.552 ' CD2' ' NE2' ' A' ' 18' ' ' GLN . 45.9 mt -91.2 122.43 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.97 128.02 34.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.9 t -153.71 109.41 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -128.11 133.9 49.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.42 150.01 52.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -116.21 148.53 40.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.48 142.4 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -112.57 122.6 35.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.78 169.78 61.75 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.313 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.92 133.83 92.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 152.02 69.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -90.36 96.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.15 114.37 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -117.89 -176.08 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.412 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 97.1 m95 -155.27 129.6 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.95 116.75 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -90.49 107.73 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 50.58 45.15 27.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.73 38.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -158.86 145.64 17.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -43.52 137.32 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.518 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 32.5 t80 -165.13 138.04 3.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.8 -35.76 2.58 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.352 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.68 -103.95 0.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.01 79.12 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -153.22 113.0 2.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -23.11 31.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -85.75 -41.52 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 50' ' ' PRO . . . -78.83 151.97 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 t -173.84 156.82 2.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.45 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 45.8 mt -113.36 141.38 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -82.89 172.67 12.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -53.65 -38.58 64.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -78.5 -42.97 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . 135.6 29.66 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.516 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -86.66 116.1 24.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -83.73 113.7 21.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -113.71 110.41 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.38 113.37 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -93.0 159.74 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 61.55 43.93 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.83 145.9 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -134.14 148.26 50.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.7 mm -46.37 -21.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -79.04 -38.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -39.54 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.88 -177.36 29.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 92' ' ' ALA . 20.7 m -96.74 110.09 22.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 111.148 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -89.51 116.97 28.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 m -106.87 113.58 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.15 114.74 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.93 135.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.94 95.48 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -84.6 147.19 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 p -171.95 148.75 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 m -42.81 -38.63 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.1 p -61.31 -56.65 18.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.93 -146.06 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.29 131.91 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 t -131.61 161.9 31.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.6 p -142.86 148.71 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.8 t-105 -114.73 165.83 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m -122.52 140.8 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.468 ' O ' ' CG2' ' A' ' 76' ' ' THR . . . -170.4 161.85 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.8 p -145.97 122.1 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tp -92.34 126.45 37.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.57 91.6 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.3 t -80.36 122.13 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.7 p -114.28 164.12 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -75.18 -32.06 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' GLY . 3.3 m -99.99 -54.43 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -62.59 -49.52 74.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -76.96 140.8 40.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.4 -107.7 1.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -53.52 143.53 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -50.87 118.31 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.5 -157.84 11.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.06 22.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.377 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 139.9 41.37 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -135.19 124.27 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.21 95.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.89 -41.58 46.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -153.05 106.22 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.1 -171.19 44.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.423 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.2 Cg_endo -69.81 -173.27 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.276 . . . . 0.0 112.359 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.4 161.6 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -66.46 105.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.71 138.82 52.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 m -104.5 94.92 5.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' CD1' HD11 ' A' ' 94' ' ' LEU . 41.2 mt -94.38 -178.37 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -122.42 131.74 54.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.552 ' CG2' ' CD1' ' A' ' 71' ' ' ILE . 52.6 t -33.73 143.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 60.61 48.95 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.5 -127.04 3.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.405 HG22 ' CD2' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -156.16 113.6 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.13 105.25 17.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' CD2' HG22 ' A' ' 25' ' ' THR . 3.6 mm? -104.64 87.39 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD22 ' CZ3' ' A' ' 42' ' ' TRP . 8.3 mp -88.66 114.53 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.37 147.65 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 t -161.87 110.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -121.38 128.16 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.39 135.01 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -109.34 139.99 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.8 174.0 38.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.45 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 12.9 t70 -142.92 122.32 7.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.69 169.11 64.66 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.356 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.86 130.6 66.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.73 151.25 69.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.4 t -98.06 87.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.8 mm -47.37 132.03 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -147.35 138.76 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CZ3' HD22 ' A' ' 28' ' ' LEU . 57.0 m95 -108.98 139.23 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 mt -126.08 118.08 24.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -85.81 99.01 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.59 34.33 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 46.91 6.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -154.64 146.6 23.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -51.92 136.72 28.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 9.7 t80 -165.95 139.7 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.77 -44.26 0.53 Allowed 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.321 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.28 -108.47 3.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ASP . 2.3 tmt_? -88.63 -42.29 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' ARG . 3.0 m-20 -36.38 113.73 0.58 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -43.44 -36.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.01 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.2 t -134.31 158.78 42.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.76 122.61 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -64.3 162.23 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -50.85 -18.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 63' ' ' THR . 12.4 mm100 -103.65 48.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 39.32 25.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.3 m -85.34 94.79 9.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tp -69.76 111.85 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -111.97 117.73 33.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.6 mt -117.72 118.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -95.47 159.83 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 57.29 45.91 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -52.3 158.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 25.5 mtt180 -145.51 142.94 29.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.552 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 47.2 mm -38.83 -37.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 t -63.72 -42.66 97.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.7 m-20 -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.4 m -49.3 132.05 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.95 -161.69 27.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.6 m -116.82 93.44 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 147.4 50.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.9 m -133.94 100.96 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.454 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 16.3 t -82.13 101.62 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.87 142.23 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 38' ' ' PRO . . . -120.85 99.48 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -83.68 149.28 26.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.9 t -173.01 140.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' SER . 30.3 t -36.78 -40.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -60.58 -65.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.04 -148.03 4.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -165.25 144.66 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.957 0.408 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 t -146.92 136.09 22.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 p -117.72 156.95 27.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.423 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 13.7 t-105 -120.45 175.95 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.8 p -136.96 131.39 32.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.57 179.76 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.1 t -149.92 152.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 20' ' ' LEU . 49.4 tp -128.49 95.86 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.13 106.0 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.447 HG12 ' CG2' ' A' ' 22' ' ' VAL . 98.0 t -95.89 131.61 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.415 ' OG1' ' CA ' ' A' ' 100' ' ' GLY . 64.4 p -117.75 128.5 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.03 -46.2 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -129.81 54.09 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.415 ' CA ' ' OG1' ' A' ' 97' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -126.48 85.15 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -105.59 172.56 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.13 99.23 0.9 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 62.4 p -130.78 123.26 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.6 m -37.25 116.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.63 171.39 43.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 169.2 19.45 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.02 36.93 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -118.31 139.49 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -93.62 88.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -38.89 -44.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -152.77 106.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.64 -164.94 35.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -172.5 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.78 159.57 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -62.0 105.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -115.58 149.44 38.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -116.75 98.91 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.7 mt -104.41 178.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -119.88 132.23 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG2' HG12 ' A' ' 96' ' ' VAL . 3.2 t -35.3 153.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 79.8 m-20 58.22 40.23 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.55 -132.29 4.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -155.72 117.03 3.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.09 116.25 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.8 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD21 ' CZ3' ' A' ' 42' ' ' TRP . 6.2 mp -77.72 122.86 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -96.98 132.57 42.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 t -156.6 112.56 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -126.66 127.23 44.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.97 152.45 42.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -125.26 156.44 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.56 162.97 11.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.43 118.45 21.59 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.05 38.26 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.349 0.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.12 135.2 89.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 152.76 69.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' ILE . 99.1 t -96.47 80.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' VAL . 44.4 mm -37.06 147.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -161.78 161.24 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.557 ' CZ3' HD21 ' A' ' 28' ' ' LEU . 83.4 m95 -131.23 132.74 44.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.5 mt -120.91 128.98 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -99.03 97.9 8.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 61.78 40.02 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.6 40.66 31.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -148.69 153.74 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -55.86 135.77 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 74.8 t80 -167.46 137.28 2.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.572 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.76 -21.94 9.92 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.66 -104.36 2.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -126.04 46.87 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -106.68 123.2 39.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.74 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -26.58 27.14 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -43.74 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.5 t -163.9 175.91 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.7 mt -131.45 133.12 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -81.0 -177.2 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.92 -40.06 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -88.83 48.46 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 37.77 39.54 0.62 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -93.13 97.7 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 42' ' ' TRP . 2.9 tt -67.76 117.05 9.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -117.7 117.89 30.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.5 mt -119.13 127.84 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -105.58 157.5 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 65.67 38.32 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.1 mt -39.47 153.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 73' ' ' ASP . 17.1 mtp85 -144.75 141.15 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.8 mm -39.44 -36.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.5 m -65.4 -42.98 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' ARG . 4.1 m-20 -43.5 -35.38 1.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.8 m -47.37 109.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.94 -167.78 18.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 92.8 m -105.11 96.01 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -68.49 141.19 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 84.8 m -134.1 110.38 9.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -87.05 111.47 20.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.13 128.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.31 92.26 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -82.05 145.12 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.2 p -160.45 151.02 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.1 m -38.4 -37.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 p -65.09 -64.72 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.3 -148.88 5.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -150.95 135.33 16.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 t -132.11 141.93 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -126.08 147.98 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 13.1 t-105 -109.28 177.94 4.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.9 p -135.7 134.84 39.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.51 -179.68 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.53 146.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.7 tp -114.68 124.46 51.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.79 94.63 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.449 HG12 ' CG2' ' A' ' 22' ' ' VAL . 92.1 t -90.46 122.19 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.9 p -118.3 127.53 53.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -48.39 -36.23 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.3 t -123.35 56.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.502 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -85.15 131.43 34.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -143.37 111.31 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 -117.88 2.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -125.81 8.74 7.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -171.57 109.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.15 -156.86 9.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 169.94 17.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 138.44 37.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.8 mt -132.61 135.86 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.409 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 38.1 mt -90.9 88.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.88 -58.74 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -125.69 89.25 3.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.84 -159.65 24.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.2 Cg_endo -69.81 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 152.77 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -70.89 105.22 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -116.18 142.19 47.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -107.72 95.32 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.4 mt -99.63 -175.77 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.52 136.16 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.62 148.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t70 69.46 36.77 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.35 -139.19 5.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.95 120.1 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.09 112.87 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 103.01 12.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.49 104.82 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -83.19 141.57 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 t -155.17 106.72 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -109.19 119.54 39.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.26 139.51 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -117.54 143.42 46.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.23 -173.27 41.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.467 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.5 p-10 -156.96 127.15 3.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.74 154.02 93.09 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -35.54 119.26 0.64 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' N ' HD13 ' A' ' 37' ' ' LEU . 53.4 Cg_endo -69.82 143.21 49.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.343 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.78 110.37 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.1 mm -69.98 133.59 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 m -139.76 138.63 36.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -110.93 124.46 52.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.7 mt -111.94 122.19 47.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -91.15 103.0 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 57.45 40.26 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.06 49.56 21.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -159.84 149.9 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.412 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.6 t -47.71 140.04 6.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 56.8 t80 -172.12 139.87 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.75 -37.29 2.03 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.332 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.11 -112.23 3.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -115.27 7.96 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.94 122.66 88.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -32.96 17.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.619 2.213 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.414 ' NH2' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -53.16 -46.28 68.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.63 147.03 26.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.422 HG21 ' NE2' ' A' ' 59' ' ' GLN . 14.1 t -153.87 167.28 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt -114.5 135.88 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' NE2' HG21 ' A' ' 57' ' ' THR . 5.5 mp0 -116.59 159.92 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 43.62 25.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 57.87 45.06 19.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.35 -55.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 88.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.43 ' CD2' HG13 ' A' ' 66' ' ' ILE . 4.8 tt -72.48 145.65 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -134.93 131.68 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.43 HG13 ' CD2' ' A' ' 64' ' ' LEU . 9.9 mt -136.62 121.9 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 2.2 mmmm -104.97 -176.77 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 41.58 34.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.77 165.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -147.01 153.24 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.1 mm -52.27 -16.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.0 t -85.18 -45.22 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -41.11 -35.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.6 m -40.15 100.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.86 -174.05 17.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 m -111.69 92.72 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -67.35 166.41 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.1 m -145.69 107.27 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.0 t -84.97 103.73 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.5 134.76 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.36 111.65 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -98.67 145.9 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 p -160.39 -178.63 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -73.1 -20.11 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.7 m -80.51 -54.33 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.47 -135.2 1.86 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -168.28 149.32 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.4 t -148.87 130.04 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.3 p -107.86 162.38 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.488 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 10.5 t-105 -130.18 176.59 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -129.91 142.85 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.84 151.97 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -141.07 133.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.8 tp -103.98 106.64 17.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -89.73 103.6 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.2 t -100.03 118.74 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -117.34 166.7 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -73.44 -35.36 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -117.27 38.69 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.563 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.798 0.249 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.24 142.55 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 11' ' ' ILE . 74.9 mt -99.87 87.74 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -39.77 -45.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -151.51 117.42 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.6 -170.95 21.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 156.74 62.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.8 168.22 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -73.38 102.63 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -117.81 138.53 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.6 m -106.09 94.19 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.616 HD12 HD11 ' A' ' 94' ' ' LEU . 68.8 mt -94.67 172.84 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.27 130.93 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 70' ' ' ARG . 5.4 p -41.79 151.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.455 ' CG ' HG22 ' A' ' 22' ' ' VAL . 5.1 m-20 71.27 30.88 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.9 -158.76 10.05 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.528 HG22 ' CD2' ' A' ' 27' ' ' LEU . 9.4 m -121.8 120.54 34.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.648 ' C ' HD22 ' A' ' 27' ' ' LEU . . . -97.93 125.08 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.648 HD22 ' C ' ' A' ' 26' ' ' ALA . 3.4 mm? -119.67 106.28 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mm? -99.44 102.96 14.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.32 139.16 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -155.12 112.18 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -122.86 123.41 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.75 143.91 49.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -115.98 150.53 37.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -175.6 166.55 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 36' ' ' PRO . 37.2 t0 -134.98 93.13 17.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.3 Cg_endo -69.69 -177.64 14.87 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.65 147.12 86.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.828 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.84 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.61 102.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 79' ' ' CYS . 42.0 mm -58.85 139.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.4 m -156.17 140.03 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.714 ' CG ' HD12 ' A' ' 64' ' ' LEU . 84.8 m95 -111.14 123.61 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.77 119.7 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -93.27 102.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 59.05 31.37 21.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.14 41.0 9.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.19 146.12 28.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.962 0.41 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -52.58 130.79 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 35.5 t80 -164.19 140.55 5.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.81 -33.79 3.3 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.323 0.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.552 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.47 144.78 33.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -165.31 169.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.7 m -104.11 107.73 18.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.714 HD12 ' CG ' ' A' ' 42' ' ' TRP . 1.3 tt -78.24 110.9 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -112.53 121.24 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 mt -124.15 123.4 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -101.31 156.64 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.0 45.42 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 26' ' ' ALA . 36.2 mt -45.72 171.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.594 ' HA ' HG23 ' A' ' 22' ' ' VAL . 58.3 mtt180 -152.92 143.6 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.532 HD13 HG12 ' A' ' 96' ' ' VAL . 29.1 mm -52.62 -20.83 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -84.42 -29.18 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -55.24 -35.7 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.5 m -38.77 116.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.27 -169.19 24.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 m -102.9 111.24 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -90.92 137.67 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -132.62 104.48 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' A' ' 40' ' ' ILE . 9.0 t -80.93 96.73 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 t -87.45 133.28 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.828 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -127.87 81.65 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.0 m -82.0 133.77 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 85' ' ' SER . 60.5 p -135.63 150.82 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -37.41 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 83' ' ' SER . 3.1 m -69.1 -73.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 -139.74 3.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 87' ' ' GLU . 1.2 tm-20 -153.68 150.02 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -154.7 162.68 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.59 153.91 29.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -109.11 175.28 5.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.9 p -136.64 127.38 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.73 146.27 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -123.38 130.66 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.616 HD11 HD12 ' A' ' 20' ' ' LEU . 12.5 tp -99.96 97.66 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.35 111.21 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.532 HG12 HD13 ' A' ' 71' ' ' ILE . 91.9 t -98.51 119.12 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.4 p -115.05 163.86 15.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.482 ' HA ' HG12 ' A' ' 22' ' ' VAL . 35.5 mt-10 -81.39 -41.17 22.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.1 p -119.78 41.59 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.794 0.248 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mt -113.15 135.24 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.516 HG13 HG21 ' A' ' 88' ' ' THR . 84.9 mt -94.24 94.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -46.33 -47.81 18.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -148.33 116.14 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.07 -169.07 29.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.74 166.2 28.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.85 158.3 43.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -63.53 109.31 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' HD12 ' A' ' 94' ' ' LEU . 8.5 pt20 -124.84 142.81 51.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -109.66 100.18 9.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.711 HD12 HD11 ' A' ' 94' ' ' LEU . 5.8 mt -106.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.63 146.07 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 23' ' ' ASP . 14.8 p -60.61 154.56 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 22' ' ' VAL . 15.2 t0 71.04 29.65 2.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.73 -137.47 4.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.456 HG22 ' CD2' ' A' ' 27' ' ' LEU . 15.1 m -143.14 127.05 17.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.03 116.32 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' CD2' HG22 ' A' ' 25' ' ' THR . 1.5 mm? -110.47 93.25 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 77' ' ' TYR . 6.2 mp -84.5 103.15 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 134.04 50.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 t -156.43 114.28 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -124.25 135.08 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -146.21 145.87 30.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 t -114.82 150.2 35.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -172.88 165.15 37.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' PRO . 4.1 t70 -134.63 92.65 19.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.85 -178.39 16.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.282 0.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.94 147.16 88.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.839 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.79 148.79 65.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.82 88.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.0 mm -43.94 122.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -135.65 171.94 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 84.2 m95 -143.49 126.25 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -116.57 118.77 33.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 73' ' ' ASP . 23.0 tttt -93.87 101.83 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 62.52 36.37 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.16 42.0 25.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -148.11 142.57 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -52.76 135.67 35.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.607 ' HE1' HD11 ' A' ' 64' ' ' LEU . 1.4 t80 -168.84 142.87 2.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.8 -29.44 5.71 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.37 -0.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' OD1' ' A' ' 68' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.836 0.35 . . . . 0.0 110.825 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.22 158.64 15.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -174.75 172.18 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.413 ' CG2' HD13 ' A' ' 27' ' ' LEU . 12.3 m -105.81 113.64 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 0.0 111.14 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.607 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -72.93 111.97 8.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -112.15 123.66 50.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 mt -131.39 124.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.426 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 68.3 mttt -104.4 178.3 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.428 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 5.8 m120 42.24 44.42 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -49.42 161.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -142.9 148.68 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -47.97 -21.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -80.08 -37.91 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.423 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 24.3 m-20 -44.24 -36.98 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -41.57 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.59 -172.55 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 92' ' ' ALA . 28.6 m -102.6 114.66 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.184 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.402 ' CD2' HD21 ' A' ' 28' ' ' LEU . 40.3 m-85 -88.81 142.01 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 93.5 m -132.83 88.17 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 7.5 t -64.24 113.35 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -107.6 144.77 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.839 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -131.11 88.99 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 m -86.9 144.69 26.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.0 p -156.29 159.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 t -50.31 -31.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -72.67 -68.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.94 -135.42 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -170.41 148.56 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.517 ' CG2' ' HB3' ' A' ' 81' ' ' ALA . 8.9 t -143.21 165.68 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.9 p -150.43 158.75 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.452 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 13.2 t-105 -126.22 177.15 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.9 p -130.33 138.31 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -164.28 160.86 21.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.72 114.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.711 HD11 HD12 ' A' ' 20' ' ' LEU . 52.5 tp -87.54 145.52 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -125.59 105.6 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.89 116.84 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.8 p -112.49 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -77.28 -29.57 53.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -128.98 43.4 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.741 0.226 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 11.7 mm -97.54 152.82 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 56.0 mt -113.7 102.39 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -52.82 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -133.94 102.9 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.56 -167.73 38.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.6 Cg_endo -69.76 -179.17 2.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.95 150.39 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -58.08 114.0 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -128.72 150.64 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.423 HG23 ' HB3' ' A' ' 95' ' ' ASP . 68.5 m -116.17 102.97 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 mt -107.62 179.12 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.98 144.15 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 23' ' ' ASP . 9.3 p -62.79 162.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' HG22 ' A' ' 22' ' ' VAL . 4.2 m-20 55.46 49.36 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.09 -125.98 2.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -146.94 112.94 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 111.16 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -102.37 113.18 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 28' ' ' LEU . 5.9 mp -109.63 150.68 27.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD21 ' CE2' ' A' ' 77' ' ' TYR . 7.4 mp -128.11 138.29 52.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.1 123.34 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 t -146.44 117.69 7.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.88 126.49 39.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.22 158.32 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 t -136.12 150.3 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.13 156.12 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.6 t70 -124.05 122.64 26.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.76 159.71 89.23 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.331 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.68 134.65 86.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.646 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.79 153.4 68.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 39' ' ' VAL . 71.3 t -96.85 82.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 50.1 mm -37.43 142.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -151.23 169.03 22.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 92.7 m95 -138.42 122.35 17.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.55 115.19 29.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -93.05 101.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 58.64 43.1 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.4 43.15 63.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -153.09 153.22 32.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.8 t -57.38 138.84 54.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.634 ' HE1' HD11 ' A' ' 64' ' ' LEU . 28.5 t80 -170.09 140.29 1.62 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.697 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 53.3 Cg_endo -69.79 -47.51 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.34 0.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.697 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -72.74 110.14 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 t -134.29 172.81 12.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 50' ' ' PRO . 16.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -84.01 105.18 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.199 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.634 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -73.25 109.04 6.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.19 130.92 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 mt -129.37 124.23 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -102.42 154.18 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.5 m120 63.23 50.86 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 26' ' ' ALA . 7.7 mt -57.45 162.89 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 71.0 mtt-85 -140.21 145.44 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.5 mm -49.35 -21.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -85.56 -29.51 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 70' ' ' ARG . 91.3 m-20 -51.71 -31.29 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 94' ' ' LEU . 90.3 m -44.16 102.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.13 178.51 26.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.0 m -103.71 106.99 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.602 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -94.25 164.73 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m -144.25 125.34 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 5.7 t -89.07 103.51 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 88' ' ' THR . 48.3 t -98.59 141.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.646 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -126.96 91.4 3.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -83.18 133.36 35.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 p -146.16 151.49 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 t -38.9 -34.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -70.0 -70.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.48 -128.25 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -174.64 140.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 81' ' ' ALA . 14.6 t -126.83 175.78 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.3 p -155.0 150.12 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.509 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 t-105 -128.82 112.31 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.5 p -70.17 144.5 51.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -174.19 156.25 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 94' ' ' LEU . 10.1 p -134.21 163.01 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 74' ' ' THR . 8.9 tp -126.89 139.68 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -117.59 106.33 13.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 22' ' ' VAL . 67.7 t -105.0 109.31 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.2 p -119.68 161.33 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.56 -39.11 93.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -86.29 -51.31 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.763 0.234 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mt -106.83 128.61 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 31' ' ' LYS . 59.2 mt -85.29 86.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -41.84 -43.86 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -152.74 110.27 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.25 -164.83 34.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -166.8 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.65 147.99 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -59.62 113.96 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -127.62 142.51 51.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -109.26 99.24 8.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.99 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 171.46 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 97' ' ' THR . 8.5 p -91.33 151.68 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 64.6 29.18 13.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.16 -114.63 2.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -160.77 124.84 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 0.0 111.099 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.83 122.72 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -110.11 145.64 36.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 5.9 mp -126.65 111.76 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -85.25 117.4 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.4 t -139.96 106.04 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 11' ' ' ILE . 23.4 tttp -108.25 166.54 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.39 146.15 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -119.03 144.7 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.78 158.03 8.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -131.99 122.57 18.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.75 151.18 91.18 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.324 0.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.1 mt -47.13 140.59 6.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.879 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.0 Cg_endo -69.73 146.36 60.16 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.738 2.292 . . . . 0.0 112.36 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.7 t -86.54 85.77 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.51 134.26 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -147.67 178.3 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 1.004 ' CG ' HD12 ' A' ' 64' ' ' LEU . 84.4 m95 -144.1 120.6 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.36 115.18 29.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -87.62 100.93 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 59.07 41.76 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.4 42.49 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -155.62 149.05 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -49.67 141.47 9.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 27.0 t80 -171.73 139.75 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.74 -3.06 7.43 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.339 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.798 0.332 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 50' ' ' PRO . . . -72.91 164.73 26.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.6 t -168.9 160.09 9.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -98.99 91.6 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.103 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.004 HD12 ' CG ' ' A' ' 42' ' ' TRP . 4.1 tt -71.3 111.46 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -115.83 122.56 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.4 120.12 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -96.11 161.33 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.79 51.89 13.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.1 mt -53.57 157.59 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 4.9 ptp180 -140.85 152.95 45.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -55.1 -17.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -86.45 -27.02 24.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.407 ' CG ' ' HG3' ' A' ' 70' ' ' ARG . 59.1 m-20 -62.35 -14.81 43.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 96.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.76 175.76 31.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.6 m -92.74 124.79 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -99.45 153.94 18.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 90' ' ' TRP . 35.6 m -137.92 115.27 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 25.3 t -89.99 107.26 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.69 134.47 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.879 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -121.81 97.3 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 m -92.45 149.61 21.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.4 t -170.03 145.92 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' SER . 29.3 t -36.59 -40.83 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -63.05 -68.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.41 -150.98 5.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 88' ' ' THR . 37.4 tt0 -160.94 156.42 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 10.1 t -154.04 168.96 24.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.1 p -148.47 149.76 32.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.443 ' O ' HG23 ' A' ' 78' ' ' THR . 9.1 t-105 -123.09 157.9 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.2 p -112.49 145.94 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.47 149.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.01 143.47 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.447 ' HG ' HG23 ' A' ' 96' ' ' VAL . 14.9 tp -114.0 108.79 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.23 96.2 10.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' HG ' ' A' ' 94' ' ' LEU . 70.0 t -88.34 124.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' VAL . 33.9 p -118.77 179.78 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 22' ' ' VAL . 59.0 mm-40 -89.65 -22.0 22.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.3 m -110.53 -41.08 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.73 0.221 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.8 mt -117.15 119.45 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' CG2' ' CA ' ' A' ' 14' ' ' GLY . 90.8 mt -72.12 92.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -59.01 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.72 79.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.422 ' CA ' ' CG2' ' A' ' 11' ' ' ILE . . . -66.93 -163.4 1.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -165.76 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -69.46 108.1 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.06 140.29 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -111.14 96.98 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 94' ' ' LEU . 6.7 mt -103.37 175.74 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 141.54 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 70' ' ' ARG . 2.7 p -48.55 150.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 66.64 39.29 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.35 -127.35 3.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.409 HG22 ' CD2' ' A' ' 27' ' ' LEU . 23.2 m -163.72 114.71 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 111.159 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.19 125.76 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.5 mm? -112.19 99.62 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.5 mp -88.29 108.05 19.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -92.64 115.31 27.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.65 86.54 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -83.99 127.64 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.9 149.85 42.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -118.53 140.02 50.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.76 138.8 2.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.465 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 t70 -114.2 122.78 33.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.8 169.52 63.13 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -53.38 133.27 53.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.749 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.77 151.67 69.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.635 2.224 . . . . 0.0 112.372 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 80.3 t -89.83 83.87 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mm -48.47 107.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -112.65 -176.59 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.89 ' CG ' HD12 ' A' ' 64' ' ' LEU . 88.1 m95 -155.73 129.98 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.9 mt -121.76 118.48 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HD2' ' CE1' ' A' ' 49' ' ' PHE . 25.8 tttt -89.84 97.91 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 58.6 45.36 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.78 27.64 68.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.47 151.22 51.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -49.52 137.68 14.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 12.2 t80 -162.01 138.17 5.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.554 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.82 -43.74 0.58 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.347 0.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.336 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.75 147.58 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.3 t -161.31 176.11 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -39.87 104.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 42' ' ' TRP . 5.8 tt -71.32 124.99 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -121.74 126.32 48.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.1 125.59 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -105.58 159.43 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 59.24 43.88 16.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.53 162.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HA ' HG23 ' A' ' 22' ' ' VAL . 11.7 mtp-105 -149.86 143.37 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.1 mm -40.22 -26.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' ARG . 27.1 p -75.62 -44.66 41.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ARG . 75.0 m-20 -41.37 -35.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -39.26 117.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.2 -163.66 22.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.3 m -121.98 106.87 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.48 ' CD2' HD21 ' A' ' 28' ' ' LEU . 49.0 m-85 -85.88 138.16 32.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 90' ' ' TRP . 93.6 m -118.31 98.39 6.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.3 t -70.23 118.52 13.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 88' ' ' THR . 21.2 t -117.54 127.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -111.63 89.63 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -82.13 137.52 34.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.2 p -155.98 150.42 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -49.57 -25.56 2.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -77.25 -53.94 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.4 -150.24 5.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -169.8 141.97 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.489 ' O ' HG13 ' A' ' 80' ' ' VAL . 8.5 t -138.21 -176.61 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.403 ' N ' ' OG1' ' A' ' 88' ' ' THR . 45.7 p -154.65 159.48 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.452 ' O ' HG23 ' A' ' 78' ' ' THR . 7.0 t-105 -136.39 172.24 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 t -133.42 142.83 48.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.68 146.46 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -121.62 130.35 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.65 HD11 HD12 ' A' ' 20' ' ' LEU . 35.2 tp -105.82 87.57 2.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.35 111.96 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.8 t -103.44 126.06 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.3 p -124.52 167.42 14.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.402 ' HA ' HG12 ' A' ' 22' ' ' VAL . 32.0 mt-10 -81.85 -35.63 29.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.0 m -123.84 42.77 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.758 0.232 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 15.1 mm -109.55 153.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 11' ' ' ILE . 61.6 mt -101.83 86.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -45.48 -44.78 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -153.48 106.39 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.79 -165.32 37.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -165.55 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.03 171.68 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.89 115.88 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.08 146.2 51.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 m -117.54 103.59 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 42.5 mt -108.24 -179.08 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.76 176.03 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 98' ' ' GLU . 15.0 p -95.39 147.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 68.41 36.21 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.72 -116.45 2.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -159.55 123.57 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -102.88 112.47 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.49 114.7 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.916 HD21 ' CE1' ' A' ' 77' ' ' TYR . 5.9 mp -98.97 141.95 31.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 124.0 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.21 122.77 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -129.7 121.92 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 40' ' ' ILE . . . -129.21 141.72 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.062 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -114.54 140.57 48.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.02 161.35 30.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 36' ' ' PRO . 8.9 t70 -133.93 104.44 11.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.74 174.31 40.99 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.346 0.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.436 HD23 ' HD2' ' A' ' 38' ' ' PRO . 7.1 mt -64.24 139.21 97.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.896 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.0 Cg_endo -69.76 160.75 48.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.63 86.06 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.596 HG21 ' HA2' ' A' ' 62' ' ' GLY . 23.1 mm -49.64 119.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -131.03 176.15 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.515 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 72.9 m95 -143.83 141.14 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.4 mt -128.01 118.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 24.0 tttt -80.28 102.84 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 53.79 28.62 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.56 21.77 33.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -127.38 149.81 49.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -45.05 135.85 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 10.2 t80 -169.32 138.24 1.65 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.78 -27.61 6.73 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.358 0.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.548 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.771 0.32 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.67 155.43 16.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.9 t -162.1 166.17 26.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.784 HD13 HD12 ' A' ' 64' ' ' LEU . 1.7 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.596 ' HA2' HG21 ' A' ' 40' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.3 m -74.82 88.82 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 58' ' ' ILE . 5.9 tp -66.45 119.62 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -116.06 150.1 37.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.6 mt -136.11 146.15 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -124.37 150.84 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.0 48.65 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.7 mt -53.13 156.45 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -146.22 144.9 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.52 -22.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.3 p -80.23 -37.59 32.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' THR . 1.3 m-20 -49.79 -35.88 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASP . 35.4 m -37.94 111.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.075 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.73 -166.34 19.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.455 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.913 HG23 ' O ' ' A' ' 92' ' ' ALA . 76.7 m -122.15 105.82 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.916 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.2 p90 -86.52 159.36 19.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 90' ' ' TRP . 98.7 m -130.4 108.26 9.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 9.0 t -79.07 104.54 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.85 138.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.896 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.76 91.91 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -82.09 153.32 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.1 p -167.1 151.33 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.3 t -45.93 -22.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -78.9 -65.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.17 -141.87 3.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -172.34 125.16 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 t -129.13 152.09 49.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.5 p -134.87 155.04 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.701 ' O ' HG23 ' A' ' 78' ' ' THR . 11.4 t-105 -119.9 -177.0 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.0 p -147.06 138.73 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.913 ' O ' HG23 ' A' ' 76' ' ' THR . . . -167.26 162.48 14.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.438 HG22 ' OG1' ' A' ' 76' ' ' THR . 93.3 t -129.33 143.89 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 tp -121.92 121.71 37.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.1 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.34 120.97 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.5 p -111.05 178.8 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.541 ' HA ' HG12 ' A' ' 22' ' ' VAL . 46.9 mt-10 -83.69 -37.25 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 100' ' ' GLY . 54.8 m -98.89 -51.49 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.789 0.246 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.1 mt -108.91 127.85 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 mt -79.69 81.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -40.3 -38.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -162.83 110.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.89 -160.92 34.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.1 Cg_endo -69.72 -169.87 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.367 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.6 156.54 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 106.84 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -123.31 136.52 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -103.6 100.26 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 71.7 mt -104.77 -179.6 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' HA3' ' A' ' 100' ' ' GLY . . . -104.85 143.25 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 23' ' ' ASP . 9.7 p -57.75 157.37 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.431 ' N ' HG22 ' A' ' 22' ' ' VAL . 18.5 m-20 56.98 51.09 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.78 -117.63 1.46 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.52 HG22 HD21 ' A' ' 27' ' ' LEU . 1.5 m -159.13 116.77 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -104.71 117.26 33.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -110.68 116.23 30.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.9 mp -100.32 97.43 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -66.28 135.85 55.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 t -155.47 140.0 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -143.69 134.45 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.7 130.39 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -103.55 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 169.41 17.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.467 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 6.0 t70 -143.21 123.03 7.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.7 149.8 89.0 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.337 -0.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.793 HD12 ' HD2' ' A' ' 38' ' ' PRO . 4.7 tp -37.79 136.88 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.953 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.9 Cg_endo -69.82 172.68 12.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -117.65 88.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mm -44.35 124.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.569 ' HB2' HG13 ' A' ' 80' ' ' VAL . 7.5 m -134.77 133.33 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -110.46 119.11 38.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.9 mt -107.79 109.26 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -82.74 105.83 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 55.25 40.72 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.63 49.04 20.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -156.49 148.11 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -52.71 129.85 30.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 43.6 t80 -158.53 138.04 8.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.612 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 53.4 Cg_endo -69.77 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.318 0.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -84.59 130.85 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -161.3 160.84 30.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 m -108.51 99.67 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 112.19 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -110.23 135.45 50.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.02 126.02 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -103.99 153.48 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 60.77 48.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.33 160.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -138.14 147.48 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.14 -20.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -87.41 -31.2 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -50.34 -24.97 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 94' ' ' LEU . 93.9 m -47.77 100.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.92 -177.55 20.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 76' ' ' THR . 3.7 m -107.25 95.59 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.548 ' CD2' HD21 ' A' ' 28' ' ' LEU . 54.8 m-85 -75.48 149.18 38.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 90' ' ' TRP . 54.4 m -128.6 115.2 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.2 t -88.4 100.3 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 41' ' ' SER . 1.3 p -111.86 125.17 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.953 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -110.0 95.14 5.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -79.67 154.83 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.1 p -167.13 151.06 6.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 m -42.05 -39.7 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.8 t -60.91 -70.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.37 -139.63 3.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -165.34 141.11 5.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 80' ' ' VAL . 6.0 t -138.58 156.93 47.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -142.42 153.88 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.448 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 12.6 t-105 -121.96 -177.29 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 99.4 p -137.76 139.33 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 76' ' ' THR . . . -168.51 168.31 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.5 p -153.33 140.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.45 ' HG ' HG23 ' A' ' 96' ' ' VAL . 14.7 tp -106.96 113.77 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.98 87.12 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.45 HG23 ' HG ' ' A' ' 94' ' ' LEU . 74.8 t -83.92 118.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.6 p -131.0 168.15 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.61 -36.62 78.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.5 p -89.69 -27.86 19.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.487 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.726 0.219 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -119.29 127.99 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -86.3 95.87 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.45 -55.73 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -124.61 87.45 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.11 -170.21 45.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.7 Cg_endo -69.74 -178.12 2.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.97 141.39 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -52.71 107.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -120.96 156.0 33.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.6 m -123.43 107.38 11.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.2 mt -114.61 171.72 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 153.36 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.587 HG22 ' N ' ' A' ' 23' ' ' ASP . 7.3 p -63.76 162.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.587 ' N ' HG22 ' A' ' 22' ' ' VAL . 12.2 t70 59.61 32.21 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.7 -162.92 11.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.605 HG22 ' CD2' ' A' ' 27' ' ' LEU . 7.1 m -119.15 120.94 38.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 111.15 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.17 114.25 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.1 mm? -111.42 107.04 16.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.768 HD21 ' CE2' ' A' ' 77' ' ' TYR . 7.1 mp -92.4 134.13 35.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.02 139.1 38.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 t -161.19 108.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -116.75 112.66 21.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.29 149.31 39.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 t -123.58 135.44 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.72 166.51 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 15.1 t70 -140.67 122.01 9.24 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.77 150.47 90.24 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.334 0.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -40.16 133.37 1.52 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.956 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.81 165.67 30.25 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.16 92.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.412 HG21 ' HA3' ' A' ' 62' ' ' GLY . 28.4 mm -52.84 128.47 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.405 ' HB2' HG13 ' A' ' 80' ' ' VAL . 8.5 m -141.76 148.71 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.89 ' CD1' HD12 ' A' ' 64' ' ' LEU . 80.4 m95 -120.26 120.48 36.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -104.23 112.57 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.532 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tttm -95.74 106.95 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 60.63 34.05 20.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.6 46.14 49.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.98 139.7 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -40.55 130.82 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 3.5 t80 -161.75 140.15 7.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.689 0.757 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.2 Cg_endo -69.78 -2.9 7.41 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.359 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.808 0.337 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.43 145.51 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -163.6 161.74 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.457 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 73.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.3 m -92.95 93.19 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.134 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.89 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.4 tt -60.03 144.93 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' N ' HD23 ' A' ' 64' ' ' LEU . 26.3 tt0 -145.67 122.02 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt -124.71 112.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -93.72 147.32 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 66.94 53.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.62 164.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 63.4 mtp180 -144.86 137.5 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.454 HD11 ' CG ' ' A' ' 98' ' ' GLU . 12.4 mm -39.73 -29.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' ASP . 20.2 t -77.63 -42.63 34.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 52.6 m-20 -37.71 -38.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.9 m -38.86 99.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.95 -177.04 21.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 92' ' ' ALA . 84.9 m -111.15 112.61 24.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 111.119 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.768 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -100.78 156.9 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.9 m -135.03 116.34 14.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.4 t -83.6 106.12 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 88' ' ' THR . 1.1 p -114.72 139.4 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.956 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -121.92 98.61 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -83.32 150.29 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -166.8 157.84 12.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -52.12 -27.43 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.0 m -71.73 -66.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.23 -138.34 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -173.52 139.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 80' ' ' VAL . 15.2 t -141.91 161.1 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -141.53 146.02 35.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.44 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.8 t-105 -118.85 122.25 41.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.8 p -79.74 142.85 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 76' ' ' THR . . . -173.05 161.84 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 94' ' ' LEU . 8.9 p -142.02 162.0 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.565 ' N ' HG22 ' A' ' 93' ' ' VAL . 5.9 tp -131.82 122.29 25.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -102.94 118.02 35.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.64 116.3 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.7 p -106.83 -178.5 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.454 ' CG ' HD11 ' A' ' 71' ' ' ILE . 53.0 mt-10 -98.36 -25.16 14.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.2 p -127.37 34.95 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.767 0.236 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.46 128.0 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -81.58 85.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -39.09 -46.02 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -155.28 105.95 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.08 -157.64 33.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -178.49 2.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.18 154.44 27.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -64.93 105.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.05 147.7 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -114.45 96.03 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 23.5 mt -98.63 170.74 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.6 138.25 38.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 98' ' ' GLU . 9.4 p -50.79 159.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.507 ' N ' HG22 ' A' ' 22' ' ' VAL . 36.1 m-20 62.17 38.02 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.45 -140.58 4.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 27' ' ' LEU . 10.8 m -140.12 127.9 21.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -109.79 110.28 21.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.3 mm? -100.36 107.79 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.8 mp -95.88 104.69 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -77.97 144.14 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -166.33 133.43 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -145.79 133.57 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.17 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t -99.73 152.56 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.04 168.69 21.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.8 t70 -140.66 122.13 9.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.77 163.7 81.17 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.351 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.33 133.21 42.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.676 0.75 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.783 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.5 Cg_endo -69.81 163.05 39.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.53 82.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.597 HD13 ' HB2' ' A' ' 81' ' ' ALA . 26.0 mm -44.81 141.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -151.37 143.16 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.803 ' CD1' HD12 ' A' ' 64' ' ' LEU . 85.3 m95 -111.96 126.8 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -118.47 110.91 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 11.1 ttmt -86.33 109.53 19.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.55 39.83 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.27 41.61 68.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' THR . 92.9 m-85 -148.36 142.73 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' PHE . 11.3 t -37.57 144.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.546 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 9.8 t80 -174.94 137.54 0.57 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.698 0.761 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.3 Cg_endo -69.81 -17.88 11.89 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.329 0.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.69 135.91 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 t -175.26 159.64 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 63' ' ' THR . 83.5 m -91.39 78.54 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 111.176 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.4 tt -53.33 155.86 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.619 ' N ' HD23 ' A' ' 64' ' ' LEU . 22.8 tt0 -148.6 126.63 12.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.406 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 12.3 mt -130.31 111.89 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -95.58 152.14 18.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.3 m120 61.89 43.59 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -42.73 165.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 73' ' ' ASP . 31.7 mtp85 -145.99 139.57 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.803 HD11 ' HG2' ' A' ' 98' ' ' GLU . 34.5 mm -39.51 -28.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.6 t -75.19 -41.18 58.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 70' ' ' ARG . 9.9 m-20 -38.09 -41.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 94' ' ' LEU . 88.3 m -38.78 128.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.34 -140.84 3.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 53.5 m -136.75 108.65 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.497 ' CD2' HD21 ' A' ' 28' ' ' LEU . 83.6 m-85 -83.68 135.87 34.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 90' ' ' TRP . 32.0 m -123.67 97.08 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.7 t -77.65 100.01 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.12 142.73 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.783 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -128.07 101.69 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.9 m -88.95 151.74 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.8 p -164.26 157.17 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -47.29 -32.57 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.7 m -73.27 -72.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.5 -148.92 4.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -164.45 140.02 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.5 t -136.36 148.24 47.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.4 p -125.66 145.9 49.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.41 ' O ' HG23 ' A' ' 78' ' ' THR . 12.2 t-105 -111.1 171.21 7.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.8 p -130.64 141.43 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' C ' HG23 ' A' ' 93' ' ' VAL . . . -155.1 -178.77 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.4 HG23 ' C ' ' A' ' 92' ' ' ALA . 78.2 t -156.4 121.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.675 HD12 HG23 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -104.72 115.55 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.466 ' N ' HD13 ' A' ' 94' ' ' LEU . 3.9 t70 -106.43 101.75 11.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.675 HG23 HD12 ' A' ' 94' ' ' LEU . 97.6 t -88.08 115.52 28.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.1 p -109.48 148.9 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.197 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.803 ' HG2' HD11 ' A' ' 71' ' ' ILE . 38.5 mm-40 -70.52 -45.74 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 p -118.03 42.32 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.484 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.733 0.222 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 14.3 mm -109.03 153.58 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.481 ' HB ' ' CZ3' ' A' ' 90' ' ' TRP . 41.5 mt -103.2 91.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.65 -54.98 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -127.57 91.92 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.08 -172.8 48.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 54.0 Cg_endo -69.73 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.44 149.55 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -60.11 110.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -124.7 146.49 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.3 m -111.95 102.85 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.28 175.34 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.31 162.85 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 98' ' ' GLU . 14.6 p -81.54 144.47 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t0 64.52 45.23 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.81 -116.38 1.81 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -150.27 129.07 12.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.111 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -126.81 112.26 15.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.782 ' C ' HD22 ' A' ' 28' ' ' LEU . 2.5 mp -106.95 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.782 HD22 ' C ' ' A' ' 27' ' ' LEU . 2.0 mm? -122.05 113.27 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 9.1 mptt -83.27 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.75 111.81 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.65 121.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -121.55 158.33 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.28 138.78 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.38 146.45 4.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 4.9 t0 -120.68 122.6 28.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.83 166.22 74.8 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.33 0.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD12 ' HD2' ' A' ' 38' ' ' PRO . 13.9 tp -52.4 135.27 42.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 1.016 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.9 Cg_endo -69.75 159.72 52.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.0 t -99.74 91.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.451 HG21 ' HA3' ' A' ' 62' ' ' GLY . 33.1 mm -54.19 131.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.525 ' HB2' HG13 ' A' ' 80' ' ' VAL . 1.9 m -140.37 161.82 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.939 ' CG ' HD12 ' A' ' 64' ' ' LEU . 94.9 m95 -134.59 128.37 33.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -119.9 116.81 26.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -94.36 99.81 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 32.3 mt-10 62.12 46.76 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.38 47.27 89.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CD2' ' O ' ' A' ' 45' ' ' GLU . 68.6 m-85 -153.11 146.33 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.2 t -50.65 135.25 23.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 5.9 t80 -163.42 138.87 5.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.79 -42.96 0.67 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.329 0.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.71 169.99 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -169.67 169.73 8.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.449 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 9.9 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.451 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -81.53 109.77 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.939 HD12 ' CG ' ' A' ' 42' ' ' TRP . 3.2 tt -85.53 110.89 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -110.62 113.51 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 14.1 mt -103.51 129.14 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -111.77 145.18 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m120 69.91 45.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 26' ' ' ALA . 37.2 mt -51.39 159.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 58.1 mtp180 -139.44 157.97 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.8 mm -58.86 -16.67 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -89.92 -17.72 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -32.75 73.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -46.69 116.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.21 -115.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 92' ' ' ALA . 92.6 m -166.0 121.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 m-85 -94.33 148.89 21.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 90' ' ' TRP . 56.0 m -133.58 102.46 5.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.24 114.4 17.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.525 HG13 ' HB2' ' A' ' 41' ' ' SER . 1.1 p -123.49 132.39 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 1.016 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.55 100.17 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -85.34 154.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 84' ' ' SER . 23.0 p -173.57 147.68 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' SER . 1.3 t -37.77 -41.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -55.42 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.19 -132.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -173.32 148.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 14.5 t -151.69 159.99 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.8 p -138.21 162.93 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.559 ' O ' HG23 ' A' ' 78' ' ' THR . 8.0 t-105 -129.07 164.14 23.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -123.59 144.39 49.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 76' ' ' THR . . . -167.91 146.32 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.12 120.17 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.637 HD13 ' N ' ' A' ' 95' ' ' ASP . 1.6 tm? -99.0 118.76 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.637 ' N ' HD13 ' A' ' 94' ' ' LEU . 5.1 m-20 -104.22 114.89 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.628 HG23 HD12 ' A' ' 94' ' ' LEU . 69.4 t -103.22 120.35 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' VAL . 61.4 p -114.1 -178.48 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.485 ' HA ' HG12 ' A' ' 22' ' ' VAL . 51.6 mt-10 -95.96 -16.54 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.0 m -112.28 -53.83 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.474 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.759 0.233 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 16.3 mm -100.39 158.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 11' ' ' ILE . 65.4 mt -108.27 91.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -44.67 -43.61 8.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.75 112.95 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 -166.25 24.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.24 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.59 157.07 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -62.3 101.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -120.1 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -117.18 101.26 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -109.61 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.08 166.49 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.51 HG23 ' HA ' ' A' ' 70' ' ' ARG . 3.4 p -84.27 152.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 74.73 37.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.76 -123.33 2.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.579 HG22 ' CD2' ' A' ' 27' ' ' LEU . 23.9 m -160.83 124.07 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.24 106.13 16.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.579 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.5 mm? -95.53 97.51 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.854 ' O ' HG23 ' A' ' 63' ' ' THR . 8.0 mp -79.39 128.62 33.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -98.87 117.53 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 t -143.21 124.79 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -134.04 127.52 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.82 148.15 50.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -125.26 137.04 54.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.2 170.97 35.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 28.2 t70 -137.04 125.74 15.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.73 168.76 66.23 Favored 'Cis proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.38 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.503 HD13 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.64 121.12 14.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.941 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.3 Cg_endo -69.87 149.33 66.04 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -92.33 117.42 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.407 HG21 ' HA3' ' A' ' 62' ' ' GLY . 49.0 mm -74.33 108.14 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.471 ' O ' HG12 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -124.84 132.33 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.75 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 45.9 m95 -105.79 141.7 36.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 119.45 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -85.92 105.7 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.5 40.8 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.79 17.88 79.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -121.87 159.42 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -51.3 146.96 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 10.4 t80 -171.95 138.25 1.0 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.79 -41.0 0.98 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.331 -0.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.865 0.364 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.31 119.29 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 t -139.72 169.53 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 28' ' ' LEU . 90.1 m -57.58 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.507 HD12 ' CG ' ' A' ' 42' ' ' TRP . 6.9 tt -71.43 130.86 42.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -127.58 126.99 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.69 96.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -76.05 153.89 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 58.44 53.76 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.4 mt -49.88 169.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.51 ' HA ' HG23 ' A' ' 22' ' ' VAL . 12.5 mtp-105 -157.93 146.81 19.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.5 mm -51.19 -27.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -79.29 -24.17 43.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -66.27 -24.28 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.3 m -48.8 106.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.36 -165.88 13.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 92' ' ' ALA . 20.9 m -125.19 99.43 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 111.148 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.508 ' CZ ' HD21 ' A' ' 28' ' ' LEU . 1.4 p90 -80.58 166.36 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 90' ' ' TRP . 9.7 m -143.6 106.15 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 36.8 t -78.56 118.09 20.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 41' ' ' SER . 1.1 p -125.06 145.56 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.941 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.58 90.14 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -76.51 143.46 40.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -168.61 148.68 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.2 m -39.58 -42.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -58.17 -65.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.98 -143.72 3.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -172.5 114.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.941 0.4 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 15.4 t -114.78 153.04 31.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -133.48 155.04 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.546 ' O ' HG23 ' A' ' 78' ' ' THR . 10.5 t-105 -129.34 141.71 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -102.78 141.4 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 76' ' ' THR . . . -165.26 149.8 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -122.33 149.43 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.7 tp -127.51 111.16 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.17 118.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.24 114.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.42 ' O ' HG12 ' A' ' 22' ' ' VAL . 65.6 p -100.01 -175.6 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.81 -20.65 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 100' ' ' GLY . 9.3 t -121.82 -38.21 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.745 0.227 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.9 mt -124.35 140.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 11' ' ' ILE . 94.1 mt -89.76 85.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -48.7 -58.26 5.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -125.78 82.76 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' HG21 ' A' ' 11' ' ' ILE . . . -81.81 -171.41 45.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.75 160.3 39.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -68.98 108.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -122.24 150.57 42.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -119.84 95.97 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 20.3 mt -97.88 176.25 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.53 140.49 37.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 23' ' ' ASP . 2.4 p -46.34 156.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.482 ' N ' HG22 ' A' ' 22' ' ' VAL . 63.7 m-20 62.33 36.97 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.14 -127.13 3.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 m -163.6 119.3 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -89.9 113.33 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.27 80.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -89.23 102.5 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HG3' HG23 ' A' ' 63' ' ' THR . 18.9 mttt -85.55 138.95 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.8 t -134.6 84.33 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 11' ' ' ILE . 25.9 tttt -81.05 138.06 36.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.19 148.87 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -122.18 147.27 46.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.75 169.7 27.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 5.1 p-10 -141.6 121.98 8.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.598 0.713 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.5 Cg_endo -69.81 171.07 55.65 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.317 0.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.72 128.86 35.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.75 148.05 64.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -89.87 99.66 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.03 138.78 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -142.18 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CD2' HD12 ' A' ' 64' ' ' LEU . 98.1 m95 -153.89 135.54 14.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.3 mt -128.57 112.59 14.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -86.83 105.92 17.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 53.33 42.79 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.69 39.7 59.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -145.79 157.1 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 t -55.72 142.47 34.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 24.0 t80 -174.97 137.93 0.58 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.3 Cg_endo -69.68 -3.2 7.45 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.38 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -70.59 140.95 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -156.82 165.41 36.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.474 HD11 ' CD ' ' A' ' 50' ' ' PRO . 20.1 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.416 HG23 ' HG3' ' A' ' 29' ' ' LYS . 4.9 m -89.72 94.44 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -61.93 94.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -99.23 120.37 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 mt -120.02 113.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -90.31 156.4 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 m120 61.91 47.51 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 73' ' ' ASP . 37.2 mtp180 -145.92 140.11 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.6 mm -38.49 -27.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' ARG . 8.3 t -74.32 -43.76 55.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ARG . 1.9 m-20 -36.14 -36.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' ASP . 92.7 m -35.44 133.56 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.58 175.18 39.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 92' ' ' ALA . 43.9 m -98.39 110.97 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.135 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -85.39 148.5 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 91.1 m -139.23 105.28 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 46.6 t -83.76 116.85 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -108.18 123.09 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -110.39 100.01 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.3 m -93.9 151.26 19.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.4 p -174.93 153.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 t -45.67 -30.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.7 m -65.22 -55.23 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.97 -130.1 1.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -174.69 141.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 t -142.82 169.4 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.5 p -150.43 145.36 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -110.88 175.16 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.5 p -132.82 125.93 31.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 76' ' ' THR . . . -146.36 159.9 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.6 t -141.61 112.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.661 ' CD1' HG23 ' A' ' 96' ' ' VAL . 3.3 tm? -92.56 121.65 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.456 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -113.1 110.11 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.661 HG23 ' CD1' ' A' ' 94' ' ' LEU . 49.1 t -97.42 117.94 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.8 p -117.35 161.36 19.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.452 ' HA ' HG12 ' A' ' 22' ' ' VAL . 8.8 mm-40 -72.04 -39.77 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLY . 58.4 m -129.81 58.84 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.816 0.257 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mt -90.63 131.19 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 11' ' ' ILE . 63.5 mt -87.11 89.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' ILE . 19.6 mt -35.23 -42.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -169.27 107.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.79 -158.09 30.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.29 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.2 169.58 17.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -79.36 106.58 11.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -128.63 140.23 51.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -102.47 103.31 13.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 HD11 ' A' ' 94' ' ' LEU . 41.8 mt -106.4 -178.76 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.42 168.61 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.551 HG22 ' N ' ' A' ' 23' ' ' ASP . 10.2 p -91.25 164.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.551 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER 56.34 31.73 19.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.69 -135.92 4.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 m -138.51 123.28 18.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.38 119.02 38.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mt -111.21 118.25 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -110.86 131.91 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 134.17 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -147.49 111.58 5.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.2 mttp -112.5 157.29 21.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.12 139.99 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -120.1 132.58 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.35 177.89 42.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.535 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.9 t70 -142.99 123.82 8.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.578 0.704 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.81 -179.81 20.3 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 0.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -62.16 123.44 78.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.64 0.733 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.66 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.3 Cg_endo -69.7 142.25 47.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.7 t -85.89 109.58 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.473 HG23 ' SG ' ' A' ' 79' ' ' CYS . 47.1 mm -66.51 120.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -123.73 -176.42 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.802 ' CG ' HD12 ' A' ' 64' ' ' LEU . 91.1 m95 -152.92 136.23 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.06 113.61 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 33.4 tttp -83.64 100.41 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 60.1 45.45 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.69 79.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -154.6 155.05 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -50.88 139.39 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 45.1 t80 -172.31 138.76 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.75 -48.66 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.73 161.47 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -167.74 163.24 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 179.906 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.5 m -48.52 111.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.172 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.802 HD12 ' CG ' ' A' ' 42' ' ' TRP . 2.1 tt -79.17 113.74 17.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -110.8 116.58 31.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.462 HG13 HD22 ' A' ' 64' ' ' LEU . 38.8 mt -114.65 124.86 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -102.47 158.6 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 55.81 51.04 12.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -52.01 169.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 73' ' ' ASP . 23.1 mtm180 -155.06 140.85 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.5 mm -42.48 -23.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.3 t -79.89 -38.93 31.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 70' ' ' ARG . 16.6 m-20 -42.88 -35.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 94' ' ' LEU . 95.4 m -42.65 115.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.64 -167.85 25.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.8 m -106.86 103.2 12.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.46 115.21 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.8 HG23 ' O ' ' A' ' 90' ' ' TRP . 31.3 m -107.79 108.36 19.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' A' ' 40' ' ' ILE . 6.1 t -78.01 113.69 16.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 88' ' ' THR . 86.7 t -109.15 131.31 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -114.76 99.47 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -87.56 144.79 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 84' ' ' SER . 73.6 p -167.46 146.25 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' SER . 19.8 m -35.57 -44.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -52.45 -60.43 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.23 -128.64 0.98 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -174.77 142.41 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 80' ' ' VAL . 11.1 t -141.01 170.86 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.8 p -150.92 159.17 44.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.8 ' O ' HG23 ' A' ' 78' ' ' THR . 15.6 t-105 -124.71 -177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.0 p -137.73 134.58 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -154.62 153.1 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -132.16 108.11 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.582 HD11 HD12 ' A' ' 20' ' ' LEU . 23.4 tp -89.65 117.82 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.74 101.67 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -92.06 125.85 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 p -117.88 -175.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.502 ' HA ' HG12 ' A' ' 22' ' ' VAL . 41.9 mt-10 -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.9 m -118.22 39.19 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.546 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 CA-C-O 120.77 0.237 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 mp -110.69 141.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -94.53 92.27 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.458 HD11 ' HB ' ' A' ' 33' ' ' THR . 35.4 mt -49.82 -60.3 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -132.26 102.8 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.0 -164.46 35.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.471 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.8 175.39 8.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.52 154.12 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.79 102.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -117.06 137.22 52.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.2 m -111.24 101.39 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 mt -106.98 177.74 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.2 147.21 24.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.616 HG23 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -59.84 158.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' N ' HG22 ' A' ' 22' ' ' VAL . 1.0 OUTLIER 63.33 40.53 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.66 -127.3 2.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.672 HG22 ' CD2' ' A' ' 27' ' ' LEU . 28.0 m -149.44 136.07 19.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.327 . . . . 0.0 111.159 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.21 112.21 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.6 mm? -107.63 115.15 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -97.75 115.35 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 125.52 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.4 145.16 30.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -158.96 124.48 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.51 134.26 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.458 ' HB ' HD11 ' A' ' 12' ' ' LEU . 14.6 t -108.82 150.75 27.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.67 -170.25 34.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.45 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 9.9 t70 -156.54 124.27 2.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.8 159.87 89.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD22 ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -47.86 121.79 8.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.674 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.6 Cg_endo -69.81 140.16 41.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.54 111.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.588 HG21 ' HA2' ' A' ' 62' ' ' GLY . 24.2 mm -65.35 145.58 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -154.27 160.0 41.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.751 ' CD1' HD12 ' A' ' 64' ' ' LEU . 94.6 m95 -131.42 126.56 35.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.5 mt -117.69 116.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -87.31 103.82 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 55.23 40.01 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.25 47.58 12.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -157.24 151.09 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 t -45.46 140.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 36.5 t80 -169.71 137.96 1.51 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.74 -36.98 2.14 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.329 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -88.79 133.61 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -163.2 160.15 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.588 ' HA2' HG21 ' A' ' 40' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.7 m -71.74 87.43 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.751 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.7 tt -65.63 149.85 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.564 ' N ' HD23 ' A' ' 64' ' ' LEU . 33.0 tt0 -138.07 136.09 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 mt -136.04 110.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -95.31 159.84 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.6 m120 56.89 44.79 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -48.19 162.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.616 ' HA ' HG23 ' A' ' 22' ' ' VAL . 10.4 ptm180 -156.81 143.68 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' ARG . 48.5 mm -34.67 -35.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ARG . 47.1 t -61.48 -50.6 72.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ARG . 15.5 m-20 -38.07 -43.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' ASP . 95.7 m -35.28 97.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -153.13 176.79 31.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.8 m -98.76 116.49 31.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.168 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 65.6 m-85 -92.88 152.42 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.0 m -138.13 110.69 7.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.68 101.16 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.67 134.27 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.674 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -125.56 95.77 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -84.91 155.97 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 p -172.26 148.95 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' SER . 2.0 m -34.98 -44.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.9 m -58.31 -62.83 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.9 -146.65 4.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -150.76 140.87 22.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 t -135.91 157.0 47.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.3 p -142.14 163.05 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -132.63 165.69 23.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.9 p -118.47 138.46 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -166.38 165.0 17.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.2 t -150.2 146.47 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 tp -118.83 95.58 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.75 110.64 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.15 122.59 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 p -115.65 157.02 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.42 -39.96 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.6 t -114.46 43.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 87' ' ' GLU . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.751 0.23 . . . . 0.0 112.4 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.75 138.56 25.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.8 mt -93.85 86.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' ILE . 48.6 mt -35.45 -38.9 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -167.21 107.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.25 -162.75 37.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.69 ' HB3' HD12 ' A' ' 28' ' ' LEU . 53.5 Cg_endo -69.81 177.34 5.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.54 143.71 18.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -52.36 114.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -127.22 147.73 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -119.81 103.11 9.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.4 mt -109.61 -176.35 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.7 155.4 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' HA ' ' A' ' 70' ' ' ARG . 7.5 p -68.9 148.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.84 50.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.01 -128.43 2.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.423 HG22 HD12 ' A' ' 27' ' ' LEU . 8.4 m -147.52 131.32 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.142 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -124.98 113.63 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.49 ' O ' HD22 ' A' ' 28' ' ' LEU . 2.8 mp -107.74 143.44 36.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.989 HD11 ' CE1' ' A' ' 77' ' ' TYR . 2.1 mm? -119.05 107.27 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -77.28 133.68 38.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.07 131.84 12.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -143.85 127.0 16.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.78 147.87 46.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -115.38 149.45 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.73 166.0 19.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.457 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.6 t70 -139.31 122.78 10.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.75 165.15 77.36 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.335 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.7 131.43 27.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.962 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.6 Cg_endo -69.8 153.15 69.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.42 90.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 81' ' ' ALA . 15.1 mm -62.05 110.19 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.1 m -124.96 173.59 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 67.9 m95 -138.35 135.22 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -120.06 107.89 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -84.31 102.96 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 61.54 34.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.9 44.85 29.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -155.79 146.6 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -42.9 132.33 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.169 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 58.6 t80 -166.52 139.74 3.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.74 -45.49 0.42 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.318 -0.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -111.01 139.66 46.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -146.81 159.83 43.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.5 HG23 ' C ' ' A' ' 63' ' ' THR . 5.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.5 ' C ' HG23 ' A' ' 58' ' ' ILE . 98.0 m -86.54 100.37 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD21 ' HE1' ' A' ' 49' ' ' PHE . 4.3 tp -75.9 137.32 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -133.28 138.48 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.5 mt -133.04 124.15 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -105.21 162.24 13.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.66 44.66 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 26' ' ' ALA . 30.7 mt -48.68 165.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.633 ' HA ' HG23 ' A' ' 22' ' ' VAL . 18.6 ptt180 -157.1 138.84 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 28.4 mm -35.65 -31.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.0 t -68.79 -46.76 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ARG . 44.2 m-20 -42.69 -36.11 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -37.44 101.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.11 -175.73 22.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.927 HG23 ' O ' ' A' ' 92' ' ' ALA . 97.8 m -111.86 104.92 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.989 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -87.51 142.66 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.914 HG23 ' O ' ' A' ' 90' ' ' TRP . 73.1 m -125.98 112.37 15.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 22.7 t -84.42 99.76 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.3 137.82 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.962 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -123.57 93.55 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -82.6 154.38 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -168.73 148.29 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -40.44 -37.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 m -64.66 -68.54 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.818 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.35 -143.96 3.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.5 tm-20 -167.63 147.03 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.7 t -148.48 148.47 30.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.8 p -135.95 141.98 44.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.914 ' O ' HG23 ' A' ' 78' ' ' THR . 16.0 t-105 -107.98 169.68 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.1 m -129.3 145.78 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.927 ' O ' HG23 ' A' ' 76' ' ' THR . . . -174.76 171.87 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.67 143.67 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tp -115.15 115.98 27.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.0 106.59 18.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -92.37 118.56 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.9 p -111.5 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.436 ' HA ' HG12 ' A' ' 22' ' ' VAL . 37.7 mt-10 -92.45 -26.72 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -126.08 26.78 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.774 0.239 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -101.48 144.59 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.433 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 33.3 mt -95.79 93.21 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.6 mt -47.26 -50.8 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -133.6 90.94 2.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.97 -171.96 47.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.5 Cg_endo -69.79 151.4 68.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.92 171.88 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -82.2 105.83 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -120.25 143.18 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -113.2 97.85 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.4 mt -101.27 -175.24 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.93 130.37 56.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.531 HG22 ' N ' ' A' ' 23' ' ' ASP . 7.3 p -40.63 160.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.531 ' N ' HG22 ' A' ' 22' ' ' VAL . 21.0 t70 60.14 37.14 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.44 -136.04 4.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.434 HG22 ' CD2' ' A' ' 27' ' ' LEU . 17.4 m -148.9 117.07 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 111.162 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' C ' HD22 ' A' ' 27' ' ' LEU . . . -101.44 122.58 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 ' C ' ' A' ' 26' ' ' ALA . 3.3 mm? -109.66 108.55 18.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 3.0 mm? -94.65 106.42 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -79.95 122.69 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.9 t -144.29 115.16 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -128.54 133.04 48.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.02 140.27 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 t -109.21 149.48 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.65 153.89 6.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.451 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.1 m-20 -126.34 122.01 23.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.78 158.41 91.11 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.349 0.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.744 HD12 ' HD2' ' A' ' 38' ' ' PRO . 4.3 tp -53.9 138.6 54.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD2' HD12 ' A' ' 37' ' ' LEU . 53.7 Cg_endo -69.74 163.78 36.97 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 39' ' ' VAL . 71.7 t -101.44 82.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -43.08 135.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.151 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -146.14 176.4 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.692 ' CG ' HD12 ' A' ' 64' ' ' LEU . 98.6 m95 -143.54 130.85 20.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -120.13 119.07 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 42.8 tttt -91.73 107.37 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 51.31 40.9 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.26 33.84 52.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -140.5 153.61 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.968 0.413 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 t -51.67 141.64 16.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 21.9 t80 -169.82 137.93 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.743 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.83 -32.78 3.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 -1.814 . . . . 0.0 112.325 0.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 160.76 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.5 t -173.52 160.16 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.437 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 5.1 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 m -109.67 107.25 17.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.692 HD12 ' CG ' ' A' ' 42' ' ' TRP . 0.6 OUTLIER -77.82 108.7 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -108.8 122.61 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.13 124.1 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -101.51 157.49 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 57.78 49.6 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -52.79 164.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.529 ' HA ' HG23 ' A' ' 22' ' ' VAL . 59.1 mtp180 -150.53 151.65 32.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 mm -50.41 -30.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.8 t -69.17 -40.8 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' THR . 9.0 m-20 -46.55 -38.7 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASP . 87.6 m -36.19 127.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.515 ' O ' HG13 ' A' ' 93' ' ' VAL . . . 178.28 -152.39 11.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 92' ' ' ALA . 83.2 m -127.86 119.49 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.177 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -96.64 129.36 44.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.0 m -117.69 102.57 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.18 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 88' ' ' THR . 21.6 t -113.93 122.79 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -109.06 94.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' CB ' ' A' ' 87' ' ' GLU . 25.7 m -84.92 152.12 23.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.3 p -168.19 175.93 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 t -65.28 -31.77 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -86.54 10.82 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.73 -170.7 13.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -138.82 172.36 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.74 ' O ' HG13 ' A' ' 80' ' ' VAL . 15.4 t -146.42 -179.01 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.0 p -154.46 154.81 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.6 t-105 -128.67 171.27 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.2 p -126.16 137.36 53.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 76' ' ' THR . . . -169.59 150.58 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 75' ' ' GLY . 88.7 t -133.61 130.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -104.34 95.79 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.11 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -96.02 112.56 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.4 p -108.35 167.24 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.37 -49.16 9.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.1 m -101.69 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.758 0.233 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -112.48 127.09 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 11' ' ' ILE . 97.3 mt -81.65 84.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.84 -54.79 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -130.0 94.23 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.03 -172.85 43.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.4 Cg_endo -69.73 -177.87 2.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.64 167.21 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -72.64 109.72 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' OE1' ' CD2' ' A' ' 28' ' ' LEU . 5.0 pt20 -126.34 140.44 52.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -104.91 94.8 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 94' ' ' LEU . 44.4 mt -102.46 -177.83 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.39 167.18 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -87.95 151.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t0 66.42 48.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.18 -127.19 2.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 HD22 ' A' ' 27' ' ' LEU . 4.8 m -151.5 110.68 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.148 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.28 101.43 13.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD22 HG22 ' A' ' 25' ' ' THR . 4.0 mm? -87.35 104.8 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 45.9 mt -91.2 122.43 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.97 128.02 34.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.9 t -153.71 109.41 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -128.11 133.9 49.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.42 150.01 52.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -116.21 148.53 40.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.48 142.4 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -112.57 122.6 35.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.78 169.78 61.75 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.313 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.92 133.83 92.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.746 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.78 152.02 69.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -90.36 96.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.507 HG21 ' HA3' ' A' ' 62' ' ' GLY . 38.1 mm -57.15 114.37 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -117.89 -176.08 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CD2' HD12 ' A' ' 64' ' ' LEU . 97.1 m95 -155.27 129.6 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.95 116.75 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -90.49 107.73 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 50.58 45.15 27.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.73 38.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -158.86 145.64 17.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -43.52 137.32 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' ' 64' ' ' LEU . 32.5 t80 -165.13 138.04 3.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.8 -35.76 2.58 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.352 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.767 0.318 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -78.83 151.97 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 t -173.84 156.82 2.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.452 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 45.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.507 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -86.66 116.1 24.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.572 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -83.73 113.7 21.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -113.71 110.41 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.567 HG13 HD22 ' A' ' 64' ' ' LEU . 12.7 mt -110.38 113.37 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -93.0 159.74 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 61.55 43.93 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.83 145.9 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -134.14 148.26 50.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.407 HD11 ' HG2' ' A' ' 98' ' ' GLU . 37.7 mm -46.37 -21.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -79.04 -38.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -39.54 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.88 -177.36 29.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 92' ' ' ALA . 20.7 m -96.74 110.09 22.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 111.148 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -89.51 116.97 28.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 90' ' ' TRP . 27.3 m -106.87 113.58 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.15 114.74 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.93 135.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.746 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -117.94 95.48 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -84.6 147.19 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 p -171.95 148.75 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 m -42.81 -38.63 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.1 p -61.31 -56.65 18.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.93 -146.06 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.29 131.91 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 t -131.61 161.9 31.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.6 p -142.86 148.71 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.66 ' O ' HG23 ' A' ' 78' ' ' THR . 11.8 t-105 -114.73 165.83 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m -122.52 140.8 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 76' ' ' THR . . . -170.4 161.85 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 93' ' ' VAL . 12.8 p -145.97 122.1 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.445 HD11 HD12 ' A' ' 20' ' ' LEU . 6.7 tp -92.34 126.45 37.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.57 91.6 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.3 t -80.36 122.13 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.7 p -114.28 164.12 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG2' HD11 ' A' ' 71' ' ' ILE . 24.8 mt-10 -75.18 -32.06 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' GLY . 3.3 m -99.99 -54.43 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.761 0.234 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -135.19 124.27 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.21 95.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.89 -41.58 46.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -153.05 106.22 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.1 -171.19 44.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.2 Cg_endo -69.81 -173.27 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.276 . . . . 0.0 112.359 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.4 161.6 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -66.46 105.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.71 138.82 52.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 m -104.5 94.92 5.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.068 HD12 HD11 ' A' ' 94' ' ' LEU . 41.2 mt -94.38 -178.37 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -122.42 131.74 54.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 96' ' ' VAL . 52.6 t -33.73 143.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 60.61 48.95 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.5 -127.04 3.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.509 HG22 HD21 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -156.16 113.6 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.13 105.25 17.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.509 HD21 HG22 ' A' ' 25' ' ' THR . 3.6 mm? -104.64 87.39 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.66 114.53 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.37 147.65 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 t -161.87 110.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -121.38 128.16 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.39 135.01 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -109.34 139.99 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.8 174.0 38.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 12.9 t70 -142.92 122.32 7.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.69 169.11 64.66 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.356 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.86 130.6 66.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.938 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.73 151.25 69.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.4 t -98.06 87.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.41 HG23 ' SG ' ' A' ' 79' ' ' CYS . 36.8 mm -47.37 132.03 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -147.35 138.76 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.455 ' CZ3' ' HB2' ' A' ' 79' ' ' CYS . 57.0 m95 -108.98 139.23 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 mt -126.08 118.08 24.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -85.81 99.01 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.59 34.33 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 46.91 6.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -154.64 146.6 23.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -51.92 136.72 28.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.551 ' HE1' HD11 ' A' ' 64' ' ' LEU . 9.7 t80 -165.95 139.7 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.77 -44.26 0.53 Allowed 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.321 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.01 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.2 t -134.31 158.78 42.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 m -85.34 94.79 9.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.14 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.651 HD21 HD11 ' A' ' 66' ' ' ILE . 4.4 tp -69.76 111.85 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -111.97 117.73 33.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.651 HD11 HD21 ' A' ' 64' ' ' LEU . 18.6 mt -117.72 118.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -95.47 159.83 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 57.29 45.91 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -52.3 158.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 25.5 mtt180 -145.51 142.94 29.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.552 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 47.2 mm -38.83 -37.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 t -63.72 -42.66 97.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.7 m-20 -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.4 m -49.3 132.05 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.95 -161.69 27.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.6 m -116.82 93.44 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 147.4 50.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 90' ' ' TRP . 34.9 m -133.94 100.96 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 16.3 t -82.13 101.62 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.87 142.23 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -120.85 99.48 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -83.68 149.28 26.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.9 t -173.01 140.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' SER . 30.3 t -36.78 -40.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -60.58 -65.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.04 -148.03 4.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -165.25 144.66 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.957 0.408 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 t -146.92 136.09 22.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 p -117.72 156.95 27.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.54 ' O ' HG23 ' A' ' 78' ' ' THR . 13.7 t-105 -120.45 175.95 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.8 p -136.96 131.39 32.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.57 179.76 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 94' ' ' LEU . 91.1 t -149.92 152.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.068 HD11 HD12 ' A' ' 20' ' ' LEU . 49.4 tp -128.49 95.86 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.13 106.0 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.6 HG12 HG23 ' A' ' 22' ' ' VAL . 98.0 t -95.89 131.61 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.415 ' OG1' ' CA ' ' A' ' 100' ' ' GLY . 64.4 p -117.75 128.5 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.03 -46.2 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -129.81 54.09 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.415 ' CA ' ' OG1' ' A' ' 97' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.708 0.212 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -118.31 139.49 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -93.62 88.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -38.89 -44.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -152.77 106.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.64 -164.94 35.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -172.5 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.78 159.57 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -62.0 105.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -115.58 149.44 38.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -116.75 98.91 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.439 HD12 HD11 ' A' ' 94' ' ' LEU . 26.7 mt -104.41 178.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -119.88 132.23 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.753 HG23 HG12 ' A' ' 96' ' ' VAL . 3.2 t -35.3 153.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 79.8 m-20 58.22 40.23 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.55 -132.29 4.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -155.72 117.03 3.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.09 116.25 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -110.8 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.613 HD21 ' CD2' ' A' ' 77' ' ' TYR . 6.2 mp -77.72 122.86 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -96.98 132.57 42.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 t -156.6 112.56 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -126.66 127.23 44.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.97 152.45 42.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -125.26 156.44 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.56 162.97 11.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.43 118.45 21.59 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.05 38.26 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.349 0.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 38' ' ' PRO . 1.6 tt -69.12 135.2 89.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.3 Cg_endo -69.8 152.76 69.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 39' ' ' VAL . 99.1 t -96.47 80.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' VAL . 44.4 mm -37.06 147.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -161.78 161.24 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.815 ' CG ' HD12 ' A' ' 64' ' ' LEU . 83.4 m95 -131.23 132.74 44.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.5 mt -120.91 128.98 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -99.03 97.9 8.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 61.78 40.02 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.6 40.66 31.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -148.69 153.74 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -55.86 135.77 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 74.8 t80 -167.46 137.28 2.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.572 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.76 -21.94 9.92 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.5 t -163.9 175.91 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -93.13 97.7 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.815 HD12 ' CG ' ' A' ' 42' ' ' TRP . 2.9 tt -67.76 117.05 9.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.7 117.89 30.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.477 HD11 HD22 ' A' ' 64' ' ' LEU . 6.5 mt -119.13 127.84 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -105.58 157.5 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 65.67 38.32 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.1 mt -39.47 153.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 73' ' ' ASP . 17.1 mtp85 -144.75 141.15 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.794 HD11 ' HG3' ' A' ' 98' ' ' GLU . 33.8 mm -39.44 -36.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.5 m -65.4 -42.98 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' ARG . 4.1 m-20 -43.5 -35.38 1.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 94' ' ' LEU . 93.8 m -47.37 109.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.94 -167.78 18.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 92' ' ' ALA . 92.8 m -105.11 96.01 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.613 ' CD2' HD21 ' A' ' 28' ' ' LEU . 67.2 m-85 -68.49 141.19 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 84.8 m -134.1 110.38 9.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -87.05 111.47 20.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.13 128.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -120.31 92.26 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -82.05 145.12 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.2 p -160.45 151.02 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.1 m -38.4 -37.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 p -65.09 -64.72 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.3 -148.88 5.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -150.95 135.33 16.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 t -132.11 141.93 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -126.08 147.98 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 13.1 t-105 -109.28 177.94 4.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.9 p -135.7 134.84 39.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' THR . . . -163.51 -179.68 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.53 146.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 74' ' ' THR . 10.7 tp -114.68 124.46 51.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.79 94.63 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.753 HG12 HG23 ' A' ' 22' ' ' VAL . 92.1 t -90.46 122.19 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.9 p -118.3 127.53 53.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.794 ' HG3' HD11 ' A' ' 71' ' ' ILE . 50.7 mt-10 -48.39 -36.23 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.3 t -123.35 56.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.502 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.781 0.242 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.8 mt -132.61 135.86 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.42 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 38.1 mt -90.9 88.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.88 -58.74 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -125.69 89.25 3.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.84 -159.65 24.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.2 Cg_endo -69.81 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 152.77 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -70.89 105.22 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -116.18 142.19 47.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -107.72 95.32 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 94' ' ' LEU . 14.4 mt -99.63 -175.77 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.52 136.16 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.62 148.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t70 69.46 36.77 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.35 -139.19 5.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.744 HG23 ' CD ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -146.95 120.1 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.09 112.87 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 103.01 12.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD13 HD22 ' A' ' 64' ' ' LEU . 5.1 mp -94.49 104.82 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -83.19 141.57 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 t -155.17 106.72 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -109.19 119.54 39.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 40' ' ' ILE . . . -123.26 139.51 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -117.54 143.42 46.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.23 -173.27 41.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.5 p-10 -156.96 127.15 3.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.74 154.02 93.09 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -35.54 119.26 0.64 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.962 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.82 143.21 49.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.343 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.78 110.37 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.521 HG23 ' SG ' ' A' ' 79' ' ' CYS . 26.1 mm -69.98 133.59 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 m -139.76 138.63 36.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.654 ' CD1' HD12 ' A' ' 64' ' ' LEU . 66.4 m95 -110.93 124.46 52.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.7 mt -111.94 122.19 47.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -91.15 103.0 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 57.45 40.26 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.06 49.56 21.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -159.84 149.9 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.412 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.6 t -47.71 140.04 6.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 56.8 t80 -172.12 139.87 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.75 -37.29 2.03 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.332 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' NH2' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.63 147.03 26.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.1 t -153.87 167.28 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 88.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 42' ' ' TRP . 4.8 tt -72.48 145.65 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.506 ' N ' HD23 ' A' ' 64' ' ' LEU . 7.8 tt0 -134.93 131.68 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.437 HG13 ' CD2' ' A' ' 64' ' ' LEU . 9.9 mt -136.62 121.9 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.744 ' CD ' HG23 ' A' ' 25' ' ' THR . 2.2 mmmm -104.97 -176.77 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 41.58 34.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.77 165.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -147.01 153.24 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.1 mm -52.27 -16.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.0 t -85.18 -45.22 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -41.11 -35.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.6 m -40.15 100.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.86 -174.05 17.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.524 ' O ' HG22 ' A' ' 76' ' ' THR . 5.6 m -111.69 92.72 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -67.35 166.41 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.1 m -145.69 107.27 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.521 ' SG ' HG23 ' A' ' 40' ' ' ILE . 6.0 t -84.97 103.73 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.5 134.76 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.962 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -115.36 111.65 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -98.67 145.9 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 p -160.39 -178.63 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -73.1 -20.11 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.7 m -80.51 -54.33 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.47 -135.2 1.86 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -168.28 149.32 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.4 t -148.87 130.04 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.3 p -107.86 162.38 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.476 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 10.5 t-105 -130.18 176.59 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -129.91 142.85 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.84 151.97 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -141.07 133.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 20' ' ' LEU . 33.8 tp -103.98 106.64 17.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -89.73 103.6 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.2 t -100.03 118.74 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -117.34 166.7 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -73.44 -35.36 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -117.27 38.69 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.563 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -99.11 108.76 21.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -85.65 93.29 8.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.9 56.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 m -122.59 169.75 10.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.389 . . . . 0.0 110.858 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -130.57 118.03 20.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.82 -162.18 33.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' O ' HD12 ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.76 167.05 25.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.359 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 131.15 20.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.662 2.242 . . . . 0.0 112.359 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 8' ' ' PRO . 5.3 mp -110.24 142.55 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 11' ' ' ILE . 74.9 mt -99.87 87.74 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -39.77 -45.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -151.51 117.42 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.6 -170.95 21.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 156.74 62.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.8 168.22 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -73.38 102.63 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -117.81 138.53 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.6 m -106.09 94.19 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.616 HD12 HD11 ' A' ' 94' ' ' LEU . 68.8 mt -94.67 172.84 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.27 130.93 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 70' ' ' ARG . 5.4 p -41.79 151.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' CG ' HG22 ' A' ' 22' ' ' VAL . 5.1 m-20 71.27 30.88 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.9 -158.76 10.05 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.528 HG22 ' CD2' ' A' ' 27' ' ' LEU . 9.4 m -121.8 120.54 34.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.648 ' C ' HD22 ' A' ' 27' ' ' LEU . . . -97.93 125.08 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.648 HD22 ' C ' ' A' ' 26' ' ' ALA . 3.4 mm? -119.67 106.28 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mm? -99.44 102.96 14.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.32 139.16 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -155.12 112.18 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -122.86 123.41 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.75 143.91 49.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -115.98 150.53 37.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -175.6 166.55 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 36' ' ' PRO . 37.2 t0 -134.98 93.13 17.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.3 Cg_endo -69.69 -177.64 14.87 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.65 147.12 86.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.828 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.84 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.61 102.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 79' ' ' CYS . 42.0 mm -58.85 139.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.4 m -156.17 140.03 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.714 ' CG ' HD12 ' A' ' 64' ' ' LEU . 84.8 m95 -111.14 123.61 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.77 119.7 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -93.27 102.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 59.05 31.37 21.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.14 41.0 9.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.19 146.12 28.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.962 0.41 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -52.58 130.79 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 35.5 t80 -164.19 140.55 5.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.81 -33.79 3.3 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.323 0.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.94 -81.43 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.552 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -121.92 77.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -147.62 123.97 5.49 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.617 0.723 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -47.98 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -62.8 -45.76 91.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.47 144.78 33.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -165.31 169.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.6 mt -129.3 137.77 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -89.27 169.09 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.72 -27.68 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' GLY . 28.8 mt-30 -96.19 45.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 35.42 47.3 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.7 m -104.11 107.73 18.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.714 HD12 ' CG ' ' A' ' 42' ' ' TRP . 1.3 tt -78.24 110.9 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -112.53 121.24 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 mt -124.15 123.4 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -101.31 156.64 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.0 45.42 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 26' ' ' ALA . 36.2 mt -45.72 171.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.594 ' HA ' HG23 ' A' ' 22' ' ' VAL . 58.3 mtt180 -152.92 143.6 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.532 HD13 HG12 ' A' ' 96' ' ' VAL . 29.1 mm -52.62 -20.83 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -84.42 -29.18 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -55.24 -35.7 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.5 m -38.77 116.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.27 -169.19 24.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 m -102.9 111.24 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -90.92 137.67 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -132.62 104.48 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' A' ' 40' ' ' ILE . 9.0 t -80.93 96.73 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 t -87.45 133.28 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.828 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -127.87 81.65 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.0 m -82.0 133.77 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 85' ' ' SER . 60.5 p -135.63 150.82 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -37.41 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 83' ' ' SER . 3.1 m -69.1 -73.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 -139.74 3.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 87' ' ' GLU . 1.2 tm-20 -153.68 150.02 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -154.7 162.68 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.59 153.91 29.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -109.11 175.28 5.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.9 p -136.64 127.38 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.73 146.27 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -123.38 130.66 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.616 HD11 HD12 ' A' ' 20' ' ' LEU . 12.5 tp -99.96 97.66 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.35 111.21 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.532 HG12 HD13 ' A' ' 71' ' ' ILE . 91.9 t -98.51 119.12 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.4 p -115.05 163.86 15.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.482 ' HA ' HG12 ' A' ' 22' ' ' VAL . 35.5 mt-10 -81.39 -41.17 22.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.1 p -119.78 41.59 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -164.07 142.04 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.1 p -110.14 140.71 43.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.41 -162.49 24.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -151.37 113.65 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -163.42 175.31 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 -179.45 41.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.73 26.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 125.55 12.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.308 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mt -113.15 135.24 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.516 HG13 HG21 ' A' ' 88' ' ' THR . 84.9 mt -94.24 94.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -46.33 -47.81 18.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -148.33 116.14 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.07 -169.07 29.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.74 166.2 28.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.85 158.3 43.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -63.53 109.31 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' HD12 ' A' ' 94' ' ' LEU . 8.5 pt20 -124.84 142.81 51.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -109.66 100.18 9.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.711 HD12 HD11 ' A' ' 94' ' ' LEU . 5.8 mt -106.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.63 146.07 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 23' ' ' ASP . 14.8 p -60.61 154.56 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 22' ' ' VAL . 15.2 t0 71.04 29.65 2.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.73 -137.47 4.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.456 HG22 ' CD2' ' A' ' 27' ' ' LEU . 15.1 m -143.14 127.05 17.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.03 116.32 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' CD2' HG22 ' A' ' 25' ' ' THR . 1.5 mm? -110.47 93.25 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 77' ' ' TYR . 6.2 mp -84.5 103.15 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 134.04 50.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 t -156.43 114.28 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -124.25 135.08 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -146.21 145.87 30.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 t -114.82 150.2 35.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -172.88 165.15 37.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' PRO . 4.1 t70 -134.63 92.65 19.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.85 -178.39 16.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.282 0.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.94 147.16 88.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.839 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.79 148.79 65.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.82 88.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.0 mm -43.94 122.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -135.65 171.94 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 84.2 m95 -143.49 126.25 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -116.57 118.77 33.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 73' ' ' ASP . 23.0 tttt -93.87 101.83 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 62.52 36.37 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.16 42.0 25.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -148.11 142.57 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -52.76 135.67 35.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.607 ' HE1' HD11 ' A' ' 64' ' ' LEU . 1.4 t80 -168.84 142.87 2.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.8 -29.44 5.71 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.37 -0.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.46 -100.57 1.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -115.79 67.92 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -137.41 123.58 13.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.732 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -45.45 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' OD1' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -51.11 -44.34 61.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.22 158.64 15.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.453 HG23 ' NE2' ' A' ' 59' ' ' GLN . 5.8 t -174.75 172.18 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.57 119.7 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -66.5 -176.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.34 -26.32 66.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' GLY . 25.8 mt-30 -90.54 39.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 36.75 44.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.413 ' CG2' HD13 ' A' ' 27' ' ' LEU . 12.3 m -105.81 113.64 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 0.0 111.14 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.607 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -72.93 111.97 8.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -112.15 123.66 50.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 mt -131.39 124.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.426 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 68.3 mttt -104.4 178.3 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.428 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 5.8 m120 42.24 44.42 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -49.42 161.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -142.9 148.68 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -47.97 -21.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -80.08 -37.91 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.423 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 24.3 m-20 -44.24 -36.98 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -41.57 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.59 -172.55 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 92' ' ' ALA . 28.6 m -102.6 114.66 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.184 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.402 ' CD2' HD21 ' A' ' 28' ' ' LEU . 40.3 m-85 -88.81 142.01 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 93.5 m -132.83 88.17 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 7.5 t -64.24 113.35 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -107.6 144.77 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.839 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -131.11 88.99 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 m -86.9 144.69 26.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.0 p -156.29 159.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 t -50.31 -31.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -72.67 -68.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.94 -135.42 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -170.41 148.56 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.517 ' CG2' ' HB3' ' A' ' 81' ' ' ALA . 8.9 t -143.21 165.68 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.9 p -150.43 158.75 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.452 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 13.2 t-105 -126.22 177.15 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.9 p -130.33 138.31 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -164.28 160.86 21.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.72 114.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.711 HD11 HD12 ' A' ' 20' ' ' LEU . 52.5 tp -87.54 145.52 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -125.59 105.6 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.89 116.84 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.8 p -112.49 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -77.28 -29.57 53.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -128.98 43.4 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 p -147.19 122.9 10.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -113.92 69.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 130.86 -87.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' GLY . 49.5 m 36.11 46.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -115.76 -65.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.62 145.89 44.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.53 30.68 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 119.91 6.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 11.7 mm -97.54 152.82 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 56.0 mt -113.7 102.39 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -52.82 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -133.94 102.9 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.56 -167.73 38.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.6 Cg_endo -69.76 -179.17 2.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.95 150.39 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -58.08 114.0 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -128.72 150.64 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.423 HG23 ' HB3' ' A' ' 95' ' ' ASP . 68.5 m -116.17 102.97 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 mt -107.62 179.12 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.98 144.15 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 23' ' ' ASP . 9.3 p -62.79 162.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' HG22 ' A' ' 22' ' ' VAL . 4.2 m-20 55.46 49.36 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.09 -125.98 2.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -146.94 112.94 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 111.16 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -102.37 113.18 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 28' ' ' LEU . 5.9 mp -109.63 150.68 27.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD21 ' CE2' ' A' ' 77' ' ' TYR . 7.4 mp -128.11 138.29 52.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.1 123.34 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 t -146.44 117.69 7.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.88 126.49 39.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.22 158.32 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 t -136.12 150.3 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.13 156.12 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.6 t70 -124.05 122.64 26.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.76 159.71 89.23 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.331 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.68 134.65 86.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.646 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.79 153.4 68.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 39' ' ' VAL . 71.3 t -96.85 82.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 50.1 mm -37.43 142.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -151.23 169.03 22.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 92.7 m95 -138.42 122.35 17.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.55 115.19 29.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -93.05 101.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 58.64 43.1 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.4 43.15 63.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -153.09 153.22 32.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.8 t -57.38 138.84 54.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.634 ' HE1' HD11 ' A' ' 64' ' ' LEU . 28.5 t80 -170.09 140.29 1.62 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.697 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 53.3 Cg_endo -69.79 -47.51 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.34 0.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.94 -96.89 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -132.29 31.22 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -82.49 141.07 45.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.69 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -69.96 -47.97 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.697 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -72.74 110.14 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 t -134.29 172.81 12.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 50' ' ' PRO . 16.9 mt -133.0 118.64 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.09 -177.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.28 -30.04 70.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -92.72 42.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 43.68 31.56 1.81 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -84.01 105.18 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.199 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.634 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -73.25 109.04 6.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.19 130.92 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 mt -129.37 124.23 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -102.42 154.18 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.5 m120 63.23 50.86 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 26' ' ' ALA . 7.7 mt -57.45 162.89 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 71.0 mtt-85 -140.21 145.44 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.5 mm -49.35 -21.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -85.56 -29.51 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 70' ' ' ARG . 91.3 m-20 -51.71 -31.29 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 94' ' ' LEU . 90.3 m -44.16 102.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.13 178.51 26.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.0 m -103.71 106.99 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.602 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -94.25 164.73 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m -144.25 125.34 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 5.7 t -89.07 103.51 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 88' ' ' THR . 48.3 t -98.59 141.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.646 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -126.96 91.4 3.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -83.18 133.36 35.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 p -146.16 151.49 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 t -38.9 -34.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -70.0 -70.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.48 -128.25 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -174.64 140.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 81' ' ' ALA . 14.6 t -126.83 175.78 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.3 p -155.0 150.12 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.509 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 t-105 -128.82 112.31 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.5 p -70.17 144.5 51.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -174.19 156.25 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 94' ' ' LEU . 10.1 p -134.21 163.01 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 74' ' ' THR . 8.9 tp -126.89 139.68 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -117.59 106.33 13.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 22' ' ' VAL . 67.7 t -105.0 109.31 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.2 p -119.68 161.33 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.56 -39.11 93.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -86.29 -51.31 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -94.1 -43.7 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -166.36 142.7 4.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.39 -84.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -88.44 -44.29 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -121.5 169.43 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.31 157.54 14.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 165.93 29.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 113.18 3.29 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mt -106.83 128.61 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 31' ' ' LYS . 59.2 mt -85.29 86.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -41.84 -43.86 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -152.74 110.27 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.25 -164.83 34.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -166.8 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.65 147.99 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -59.62 113.96 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -127.62 142.51 51.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -109.26 99.24 8.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.99 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 171.46 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 97' ' ' THR . 8.5 p -91.33 151.68 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 64.6 29.18 13.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.16 -114.63 2.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -160.77 124.84 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 0.0 111.099 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.83 122.72 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -110.11 145.64 36.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 5.9 mp -126.65 111.76 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -85.25 117.4 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.4 t -139.96 106.04 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 11' ' ' ILE . 23.4 tttp -108.25 166.54 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.39 146.15 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -119.03 144.7 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.78 158.03 8.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -131.99 122.57 18.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.75 151.18 91.18 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.324 0.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.1 mt -47.13 140.59 6.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.879 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.0 Cg_endo -69.73 146.36 60.16 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.738 2.292 . . . . 0.0 112.36 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.7 t -86.54 85.77 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.51 134.26 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -147.67 178.3 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 1.004 ' CG ' HD12 ' A' ' 64' ' ' LEU . 84.4 m95 -144.1 120.6 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.36 115.18 29.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -87.62 100.93 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 59.07 41.76 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.4 42.49 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -155.62 149.05 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -49.67 141.47 9.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 27.0 t80 -171.73 139.75 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.74 -3.06 7.43 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.339 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.8 -100.86 0.65 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -130.94 52.08 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.25 133.22 22.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -42.31 3.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -60.97 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 50' ' ' PRO . . . -72.91 164.73 26.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.6 t -168.9 160.09 9.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 73.7 mt -131.8 118.66 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -69.24 -175.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.28 -30.16 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' GLY . 66.2 mt-30 -95.76 49.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 34.78 46.26 0.59 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -98.99 91.6 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.103 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.004 HD12 ' CG ' ' A' ' 42' ' ' TRP . 4.1 tt -71.3 111.46 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -115.83 122.56 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.4 120.12 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -96.11 161.33 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.79 51.89 13.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.1 mt -53.57 157.59 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 4.9 ptp180 -140.85 152.95 45.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -55.1 -17.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -86.45 -27.02 24.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' CG ' ' HG3' ' A' ' 70' ' ' ARG . 59.1 m-20 -62.35 -14.81 43.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 96.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.76 175.76 31.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.6 m -92.74 124.79 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -99.45 153.94 18.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 90' ' ' TRP . 35.6 m -137.92 115.27 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 25.3 t -89.99 107.26 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.69 134.47 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.879 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -121.81 97.3 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 m -92.45 149.61 21.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.4 t -170.03 145.92 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' SER . 29.3 t -36.59 -40.83 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -63.05 -68.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.41 -150.98 5.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 88' ' ' THR . 37.4 tt0 -160.94 156.42 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 10.1 t -154.04 168.96 24.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.1 p -148.47 149.76 32.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.443 ' O ' HG23 ' A' ' 78' ' ' THR . 9.1 t-105 -123.09 157.9 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.2 p -112.49 145.94 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.47 149.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.01 143.47 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.447 ' HG ' HG23 ' A' ' 96' ' ' VAL . 14.9 tp -114.0 108.79 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.23 96.2 10.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' HG ' ' A' ' 94' ' ' LEU . 70.0 t -88.34 124.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' VAL . 33.9 p -118.77 179.78 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 22' ' ' VAL . 59.0 mm-40 -89.65 -22.0 22.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.3 m -110.53 -41.08 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -63.6 125.47 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.367 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -88.47 138.7 31.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.73 79.35 1.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 6' ' ' SER . 74.1 m -75.56 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' SER . 82.5 p -38.19 155.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.41 -161.35 23.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 169.87 17.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.8 mt -117.15 119.45 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' CG2' ' CA ' ' A' ' 14' ' ' GLY . 90.8 mt -72.12 92.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -59.01 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.72 79.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.422 ' CA ' ' CG2' ' A' ' 11' ' ' ILE . . . -66.93 -163.4 1.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -165.76 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -69.46 108.1 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.06 140.29 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -111.14 96.98 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 94' ' ' LEU . 6.7 mt -103.37 175.74 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 141.54 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 70' ' ' ARG . 2.7 p -48.55 150.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 66.64 39.29 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.35 -127.35 3.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.409 HG22 ' CD2' ' A' ' 27' ' ' LEU . 23.2 m -163.72 114.71 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 111.159 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.19 125.76 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.5 mm? -112.19 99.62 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.5 mp -88.29 108.05 19.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -92.64 115.31 27.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.65 86.54 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -83.99 127.64 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.9 149.85 42.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -118.53 140.02 50.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.76 138.8 2.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.465 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 t70 -114.2 122.78 33.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.8 169.52 63.13 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -53.38 133.27 53.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.749 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.77 151.67 69.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.635 2.224 . . . . 0.0 112.372 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 80.3 t -89.83 83.87 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mm -48.47 107.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -112.65 -176.59 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.89 ' CG ' HD12 ' A' ' 64' ' ' LEU . 88.1 m95 -155.73 129.98 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.9 mt -121.76 118.48 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HD2' ' CE1' ' A' ' 49' ' ' PHE . 25.8 tttt -89.84 97.91 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 58.6 45.36 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.78 27.64 68.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.47 151.22 51.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -49.52 137.68 14.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 12.2 t80 -162.01 138.17 5.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.554 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.82 -43.74 0.58 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.347 0.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.57 76.0 1.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 36.9 42.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.661 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 1.8 t70 -77.03 141.31 67.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 53' ' ' ASP . 53.9 Cg_endo -69.75 -43.74 2.49 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -91.13 -28.47 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . . . -98.75 147.58 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.3 t -161.31 176.11 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt -126.14 125.03 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 60' ' ' GLU . 2.0 mp0 -66.09 148.71 51.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' GLN . 29.8 mt-10 -37.42 -34.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -81.66 -48.91 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.15 -30.51 0.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -39.87 104.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 42' ' ' TRP . 5.8 tt -71.32 124.99 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -121.74 126.32 48.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.1 125.59 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -105.58 159.43 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 59.24 43.88 16.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.53 162.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HA ' HG23 ' A' ' 22' ' ' VAL . 11.7 mtp-105 -149.86 143.37 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.1 mm -40.22 -26.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' ARG . 27.1 p -75.62 -44.66 41.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ARG . 75.0 m-20 -41.37 -35.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -39.26 117.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.2 -163.66 22.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.3 m -121.98 106.87 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.48 ' CD2' HD21 ' A' ' 28' ' ' LEU . 49.0 m-85 -85.88 138.16 32.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 90' ' ' TRP . 93.6 m -118.31 98.39 6.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.3 t -70.23 118.52 13.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 88' ' ' THR . 21.2 t -117.54 127.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -111.63 89.63 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -82.13 137.52 34.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.2 p -155.98 150.42 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -49.57 -25.56 2.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -77.25 -53.94 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.4 -150.24 5.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -169.8 141.97 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.489 ' O ' HG13 ' A' ' 80' ' ' VAL . 8.5 t -138.21 -176.61 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.403 ' N ' ' OG1' ' A' ' 88' ' ' THR . 45.7 p -154.65 159.48 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.452 ' O ' HG23 ' A' ' 78' ' ' THR . 7.0 t-105 -136.39 172.24 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 t -133.42 142.83 48.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.68 146.46 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -121.62 130.35 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.65 HD11 HD12 ' A' ' 20' ' ' LEU . 35.2 tp -105.82 87.57 2.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.35 111.96 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.8 t -103.44 126.06 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.3 p -124.52 167.42 14.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.402 ' HA ' HG12 ' A' ' 22' ' ' VAL . 32.0 mt-10 -81.85 -35.63 29.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.0 m -123.84 42.77 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -144.55 137.04 26.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -58.23 96.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.89 -173.14 33.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.6 p -125.36 37.3 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -122.51 154.11 38.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.67 -159.31 23.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 167.72 23.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.49 4.12 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.342 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 15.1 mm -109.55 153.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 11' ' ' ILE . 61.6 mt -101.83 86.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -45.48 -44.78 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -153.48 106.39 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.79 -165.32 37.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -165.55 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.03 171.68 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.89 115.88 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.08 146.2 51.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 m -117.54 103.59 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 42.5 mt -108.24 -179.08 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.76 176.03 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 98' ' ' GLU . 15.0 p -95.39 147.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 68.41 36.21 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.72 -116.45 2.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -159.55 123.57 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -102.88 112.47 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.49 114.7 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.916 HD21 ' CE1' ' A' ' 77' ' ' TYR . 5.9 mp -98.97 141.95 31.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 124.0 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.21 122.77 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -129.7 121.92 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 40' ' ' ILE . . . -129.21 141.72 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.062 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -114.54 140.57 48.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.02 161.35 30.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 36' ' ' PRO . 8.9 t70 -133.93 104.44 11.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.74 174.31 40.99 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.346 0.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.436 HD23 ' HD2' ' A' ' 38' ' ' PRO . 7.1 mt -64.24 139.21 97.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.896 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.0 Cg_endo -69.76 160.75 48.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.63 86.06 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.596 HG21 ' HA2' ' A' ' 62' ' ' GLY . 23.1 mm -49.64 119.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -131.03 176.15 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.515 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 72.9 m95 -143.83 141.14 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.4 mt -128.01 118.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 24.0 tttt -80.28 102.84 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 53.79 28.62 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.56 21.77 33.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -127.38 149.81 49.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -45.05 135.85 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 10.2 t80 -169.32 138.24 1.65 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.78 -27.61 6.73 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.358 0.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.66 37.85 5.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.548 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 54.54 46.61 24.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.332 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -104.13 151.55 39.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.604 0.716 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -39.31 6.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.367 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -57.73 -56.77 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.67 155.43 16.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.9 t -162.1 166.17 26.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.784 HD13 HD12 ' A' ' 64' ' ' LEU . 1.7 mm -113.85 131.46 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -111.98 157.9 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 46.69 28.32 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 49.97 43.48 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.596 ' HA2' HG21 ' A' ' 40' ' ' ILE . . . 176.03 -39.83 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.3 m -74.82 88.82 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 58' ' ' ILE . 5.9 tp -66.45 119.62 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -116.06 150.1 37.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.6 mt -136.11 146.15 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -124.37 150.84 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.0 48.65 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.7 mt -53.13 156.45 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -146.22 144.9 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.52 -22.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.3 p -80.23 -37.59 32.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' THR . 1.3 m-20 -49.79 -35.88 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASP . 35.4 m -37.94 111.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.075 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.73 -166.34 19.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.455 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.913 HG23 ' O ' ' A' ' 92' ' ' ALA . 76.7 m -122.15 105.82 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.916 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.2 p90 -86.52 159.36 19.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 90' ' ' TRP . 98.7 m -130.4 108.26 9.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 9.0 t -79.07 104.54 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.85 138.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.896 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.76 91.91 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -82.09 153.32 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.1 p -167.1 151.33 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.3 t -45.93 -22.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -78.9 -65.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.17 -141.87 3.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -172.34 125.16 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 t -129.13 152.09 49.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.5 p -134.87 155.04 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.701 ' O ' HG23 ' A' ' 78' ' ' THR . 11.4 t-105 -119.9 -177.0 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.0 p -147.06 138.73 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.913 ' O ' HG23 ' A' ' 76' ' ' THR . . . -167.26 162.48 14.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.438 HG22 ' OG1' ' A' ' 76' ' ' THR . 93.3 t -129.33 143.89 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 tp -121.92 121.71 37.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.1 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.34 120.97 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.5 p -111.05 178.8 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.541 ' HA ' HG12 ' A' ' 22' ' ' VAL . 46.9 mt-10 -83.69 -37.25 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 100' ' ' GLY . 54.8 m -98.89 -51.49 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -62.39 -49.67 74.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -121.09 142.65 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.1 179.24 21.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 48.96 40.81 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -85.03 -49.14 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.23 157.04 23.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 169.95 17.68 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 123.05 9.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.1 mt -108.91 127.85 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 mt -79.69 81.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -40.3 -38.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -162.83 110.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.89 -160.92 34.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.1 Cg_endo -69.72 -169.87 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.367 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.6 156.54 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 106.84 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -123.31 136.52 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -103.6 100.26 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 71.7 mt -104.77 -179.6 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' HA3' ' A' ' 100' ' ' GLY . . . -104.85 143.25 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 23' ' ' ASP . 9.7 p -57.75 157.37 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' N ' HG22 ' A' ' 22' ' ' VAL . 18.5 m-20 56.98 51.09 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.78 -117.63 1.46 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.52 HG22 HD21 ' A' ' 27' ' ' LEU . 1.5 m -159.13 116.77 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -104.71 117.26 33.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -110.68 116.23 30.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.9 mp -100.32 97.43 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -66.28 135.85 55.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 t -155.47 140.0 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -143.69 134.45 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.7 130.39 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -103.55 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 169.41 17.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.467 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 6.0 t70 -143.21 123.03 7.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.7 149.8 89.0 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.337 -0.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.793 HD12 ' HD2' ' A' ' 38' ' ' PRO . 4.7 tp -37.79 136.88 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.953 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.9 Cg_endo -69.82 172.68 12.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -117.65 88.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mm -44.35 124.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.569 ' HB2' HG13 ' A' ' 80' ' ' VAL . 7.5 m -134.77 133.33 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -110.46 119.11 38.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.9 mt -107.79 109.26 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -82.74 105.83 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 55.25 40.72 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.63 49.04 20.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -156.49 148.11 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -52.71 129.85 30.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 43.6 t80 -158.53 138.04 8.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.612 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 53.4 Cg_endo -69.77 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.318 0.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.19 -115.98 5.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -103.31 89.4 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -170.36 131.72 0.94 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -46.3 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -51.6 -55.25 20.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -84.59 130.85 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -161.3 160.84 30.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 59' ' ' GLN . 23.8 mt -109.26 155.44 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' N ' HG22 ' A' ' 58' ' ' ILE . 52.7 mm-40 -100.12 -176.58 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.16 -9.32 55.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -120.84 46.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 40.85 50.62 4.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 m -108.51 99.67 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 112.19 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -110.23 135.45 50.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.02 126.02 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -103.99 153.48 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 60.77 48.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.33 160.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -138.14 147.48 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.14 -20.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -87.41 -31.2 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -50.34 -24.97 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 94' ' ' LEU . 93.9 m -47.77 100.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.92 -177.55 20.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 76' ' ' THR . 3.7 m -107.25 95.59 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.548 ' CD2' HD21 ' A' ' 28' ' ' LEU . 54.8 m-85 -75.48 149.18 38.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 90' ' ' TRP . 54.4 m -128.6 115.2 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.2 t -88.4 100.3 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 41' ' ' SER . 1.3 p -111.86 125.17 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.953 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -110.0 95.14 5.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -79.67 154.83 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.1 p -167.13 151.06 6.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 m -42.05 -39.7 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.8 t -60.91 -70.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.37 -139.63 3.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -165.34 141.11 5.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 80' ' ' VAL . 6.0 t -138.58 156.93 47.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -142.42 153.88 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.448 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 12.6 t-105 -121.96 -177.29 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 99.4 p -137.76 139.33 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 76' ' ' THR . . . -168.51 168.31 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.5 p -153.33 140.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.45 ' HG ' HG23 ' A' ' 96' ' ' VAL . 14.7 tp -106.96 113.77 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.98 87.12 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.45 HG23 ' HG ' ' A' ' 94' ' ' LEU . 74.8 t -83.92 118.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.6 p -131.0 168.15 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.61 -36.62 78.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.5 p -89.69 -27.86 19.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.487 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -93.58 -61.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 m -74.99 126.6 31.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.16 -154.21 16.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -117.66 130.66 56.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -99.23 95.33 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.95 -151.15 17.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 169.51 18.9 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.325 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 118.46 5.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -119.29 127.99 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -86.3 95.87 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.45 -55.73 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -124.61 87.45 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.11 -170.21 45.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.7 Cg_endo -69.74 -178.12 2.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.97 141.39 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -52.71 107.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -120.96 156.0 33.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.6 m -123.43 107.38 11.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.2 mt -114.61 171.72 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 153.36 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.587 HG22 ' N ' ' A' ' 23' ' ' ASP . 7.3 p -63.76 162.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.587 ' N ' HG22 ' A' ' 22' ' ' VAL . 12.2 t70 59.61 32.21 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.7 -162.92 11.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.605 HG22 ' CD2' ' A' ' 27' ' ' LEU . 7.1 m -119.15 120.94 38.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 111.15 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.17 114.25 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.1 mm? -111.42 107.04 16.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.768 HD21 ' CE2' ' A' ' 77' ' ' TYR . 7.1 mp -92.4 134.13 35.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.02 139.1 38.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 t -161.19 108.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -116.75 112.66 21.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.29 149.31 39.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 t -123.58 135.44 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.72 166.51 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 15.1 t70 -140.67 122.01 9.24 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.77 150.47 90.24 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.334 0.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -40.16 133.37 1.52 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.956 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.81 165.67 30.25 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.16 92.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.412 HG21 ' HA3' ' A' ' 62' ' ' GLY . 28.4 mm -52.84 128.47 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.405 ' HB2' HG13 ' A' ' 80' ' ' VAL . 8.5 m -141.76 148.71 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.89 ' CD1' HD12 ' A' ' 64' ' ' LEU . 80.4 m95 -120.26 120.48 36.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -104.23 112.57 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.532 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tttm -95.74 106.95 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 60.63 34.05 20.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.6 46.14 49.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.98 139.7 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -40.55 130.82 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 3.5 t80 -161.75 140.15 7.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.689 0.757 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.2 Cg_endo -69.78 -2.9 7.41 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.359 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 -98.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -134.45 91.6 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -154.47 136.39 9.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -51.22 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -51.32 -49.67 60.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.43 145.51 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -163.6 161.74 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.457 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 73.6 mt -108.92 96.27 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.51 -176.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.427 ' C ' ' CG ' ' A' ' 61' ' ' GLN . 20.5 tt0 -48.95 162.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.445 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 3.2 pt20 42.32 52.77 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . 40.14 46.32 3.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.445 ' HG1' ' HG3' ' A' ' 61' ' ' GLN . 85.3 m -92.95 93.19 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.134 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.89 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.4 tt -60.03 144.93 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' N ' HD23 ' A' ' 64' ' ' LEU . 26.3 tt0 -145.67 122.02 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt -124.71 112.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -93.72 147.32 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 66.94 53.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.62 164.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 63.4 mtp180 -144.86 137.5 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.454 HD11 ' CG ' ' A' ' 98' ' ' GLU . 12.4 mm -39.73 -29.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' ASP . 20.2 t -77.63 -42.63 34.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 52.6 m-20 -37.71 -38.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.9 m -38.86 99.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.95 -177.04 21.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 92' ' ' ALA . 84.9 m -111.15 112.61 24.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 111.119 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.768 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -100.78 156.9 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.9 m -135.03 116.34 14.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.4 t -83.6 106.12 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 88' ' ' THR . 1.1 p -114.72 139.4 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.956 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -121.92 98.61 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -83.32 150.29 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -166.8 157.84 12.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -52.12 -27.43 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.0 m -71.73 -66.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.23 -138.34 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -173.52 139.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 80' ' ' VAL . 15.2 t -141.91 161.1 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -141.53 146.02 35.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.44 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.8 t-105 -118.85 122.25 41.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.8 p -79.74 142.85 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 76' ' ' THR . . . -173.05 161.84 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 94' ' ' LEU . 8.9 p -142.02 162.0 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.565 ' N ' HG22 ' A' ' 93' ' ' VAL . 5.9 tp -131.82 122.29 25.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -102.94 118.02 35.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.64 116.3 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.7 p -106.83 -178.5 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.454 ' CG ' HD11 ' A' ' 71' ' ' ILE . 53.0 mt-10 -98.36 -25.16 14.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.2 p -127.37 34.95 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m 56.93 45.85 20.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -42.29 -45.53 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.18 121.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -102.91 146.32 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -112.2 37.97 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.96 148.14 17.37 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 164.94 32.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.735 2.29 . . . . 0.0 112.305 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.64 16.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.46 128.0 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -81.58 85.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -39.09 -46.02 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -155.28 105.95 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.08 -157.64 33.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -178.49 2.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.18 154.44 27.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -64.93 105.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.05 147.7 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -114.45 96.03 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 23.5 mt -98.63 170.74 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.6 138.25 38.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 98' ' ' GLU . 9.4 p -50.79 159.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.507 ' N ' HG22 ' A' ' 22' ' ' VAL . 36.1 m-20 62.17 38.02 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.45 -140.58 4.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 27' ' ' LEU . 10.8 m -140.12 127.9 21.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -109.79 110.28 21.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.3 mm? -100.36 107.79 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.8 mp -95.88 104.69 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -77.97 144.14 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -166.33 133.43 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -145.79 133.57 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.17 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t -99.73 152.56 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.04 168.69 21.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.8 t70 -140.66 122.13 9.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.77 163.7 81.17 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.351 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.33 133.21 42.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.676 0.75 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.783 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.5 Cg_endo -69.81 163.05 39.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.53 82.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.597 HD13 ' HB2' ' A' ' 81' ' ' ALA . 26.0 mm -44.81 141.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -151.37 143.16 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.803 ' CD1' HD12 ' A' ' 64' ' ' LEU . 85.3 m95 -111.96 126.8 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -118.47 110.91 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 11.1 ttmt -86.33 109.53 19.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.55 39.83 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.27 41.61 68.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' THR . 92.9 m-85 -148.36 142.73 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' PHE . 11.3 t -37.57 144.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.546 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 9.8 t80 -174.94 137.54 0.57 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.698 0.761 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.3 Cg_endo -69.81 -17.88 11.89 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.329 0.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.83 -122.88 6.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -112.44 49.14 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 56' ' ' ALA . 78.7 m-20 -97.08 136.62 21.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -73.89 -46.09 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . . . -77.69 135.91 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 t -175.26 159.64 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 mt -93.04 142.65 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -92.62 -74.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' GLN . 36.6 mm-40 -100.01 65.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' GLU . 14.9 pt20 34.44 38.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.88 -25.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 63' ' ' THR . 83.5 m -91.39 78.54 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 111.176 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.4 tt -53.33 155.86 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.619 ' N ' HD23 ' A' ' 64' ' ' LEU . 22.8 tt0 -148.6 126.63 12.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.406 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 12.3 mt -130.31 111.89 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -95.58 152.14 18.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.3 m120 61.89 43.59 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -42.73 165.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 73' ' ' ASP . 31.7 mtp85 -145.99 139.57 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.803 HD11 ' HG2' ' A' ' 98' ' ' GLU . 34.5 mm -39.51 -28.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.6 t -75.19 -41.18 58.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 70' ' ' ARG . 9.9 m-20 -38.09 -41.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 94' ' ' LEU . 88.3 m -38.78 128.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.34 -140.84 3.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 53.5 m -136.75 108.65 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.497 ' CD2' HD21 ' A' ' 28' ' ' LEU . 83.6 m-85 -83.68 135.87 34.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 90' ' ' TRP . 32.0 m -123.67 97.08 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.7 t -77.65 100.01 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.12 142.73 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.783 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -128.07 101.69 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.9 m -88.95 151.74 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.8 p -164.26 157.17 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -47.29 -32.57 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.7 m -73.27 -72.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.5 -148.92 4.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -164.45 140.02 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.5 t -136.36 148.24 47.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.4 p -125.66 145.9 49.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.41 ' O ' HG23 ' A' ' 78' ' ' THR . 12.2 t-105 -111.1 171.21 7.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.8 p -130.64 141.43 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' C ' HG23 ' A' ' 93' ' ' VAL . . . -155.1 -178.77 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.4 HG23 ' C ' ' A' ' 92' ' ' ALA . 78.2 t -156.4 121.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.675 HD12 HG23 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -104.72 115.55 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.466 ' N ' HD13 ' A' ' 94' ' ' LEU . 3.9 t70 -106.43 101.75 11.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.675 HG23 HD12 ' A' ' 94' ' ' LEU . 97.6 t -88.08 115.52 28.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.1 p -109.48 148.9 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.197 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.803 ' HG2' HD11 ' A' ' 71' ' ' ILE . 38.5 mm-40 -70.52 -45.74 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 p -118.03 42.32 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -108.47 130.81 55.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -116.51 160.31 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.57 -75.74 0.21 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -77.57 130.53 37.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -78.49 111.14 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.81 -158.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 169.89 17.84 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.364 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.7 Cg_endo -69.76 110.77 2.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.732 2.288 . . . . 0.0 112.346 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 14.3 mm -109.03 153.58 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.481 ' HB ' ' CZ3' ' A' ' 90' ' ' TRP . 41.5 mt -103.2 91.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.65 -54.98 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -127.57 91.92 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.08 -172.8 48.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 54.0 Cg_endo -69.73 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.44 149.55 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -60.11 110.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -124.7 146.49 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.3 m -111.95 102.85 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.28 175.34 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.31 162.85 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 98' ' ' GLU . 14.6 p -81.54 144.47 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t0 64.52 45.23 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.81 -116.38 1.81 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -150.27 129.07 12.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.111 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -126.81 112.26 15.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.782 ' C ' HD22 ' A' ' 28' ' ' LEU . 2.5 mp -106.95 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.782 HD22 ' C ' ' A' ' 27' ' ' LEU . 2.0 mm? -122.05 113.27 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 9.1 mptt -83.27 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.75 111.81 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.65 121.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -121.55 158.33 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.28 138.78 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.38 146.45 4.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 4.9 t0 -120.68 122.6 28.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.83 166.22 74.8 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.33 0.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD12 ' HD2' ' A' ' 38' ' ' PRO . 13.9 tp -52.4 135.27 42.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 1.016 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.9 Cg_endo -69.75 159.72 52.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.0 t -99.74 91.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.451 HG21 ' HA3' ' A' ' 62' ' ' GLY . 33.1 mm -54.19 131.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.525 ' HB2' HG13 ' A' ' 80' ' ' VAL . 1.9 m -140.37 161.82 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.939 ' CG ' HD12 ' A' ' 64' ' ' LEU . 94.9 m95 -134.59 128.37 33.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -119.9 116.81 26.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -94.36 99.81 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 32.3 mt-10 62.12 46.76 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.38 47.27 89.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CD2' ' O ' ' A' ' 45' ' ' GLU . 68.6 m-85 -153.11 146.33 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.2 t -50.65 135.25 23.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 5.9 t80 -163.42 138.87 5.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.79 -42.96 0.67 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.329 0.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.4 -100.84 1.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -75.4 -57.36 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.855 -179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' ARG . 18.2 m-20 -32.69 96.0 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.729 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' ARG . 54.2 Cg_endo -69.68 -16.09 37.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.731 2.288 . . . . 0.0 112.369 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -66.57 -49.87 64.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.71 169.99 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -169.67 169.73 8.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.449 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 9.9 mt -129.66 132.85 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -91.51 177.34 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -50.01 -40.71 45.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -87.64 43.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.451 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . 39.55 31.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -81.53 109.77 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.939 HD12 ' CG ' ' A' ' 42' ' ' TRP . 3.2 tt -85.53 110.89 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -110.62 113.51 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 14.1 mt -103.51 129.14 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -111.77 145.18 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m120 69.91 45.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 26' ' ' ALA . 37.2 mt -51.39 159.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 58.1 mtp180 -139.44 157.97 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.8 mm -58.86 -16.67 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -89.92 -17.72 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -32.75 73.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -46.69 116.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.21 -115.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 92' ' ' ALA . 92.6 m -166.0 121.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 m-85 -94.33 148.89 21.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 90' ' ' TRP . 56.0 m -133.58 102.46 5.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.24 114.4 17.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.525 HG13 ' HB2' ' A' ' 41' ' ' SER . 1.1 p -123.49 132.39 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 1.016 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.55 100.17 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -85.34 154.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 84' ' ' SER . 23.0 p -173.57 147.68 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' SER . 1.3 t -37.77 -41.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -55.42 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.19 -132.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -173.32 148.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 14.5 t -151.69 159.99 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.8 p -138.21 162.93 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.559 ' O ' HG23 ' A' ' 78' ' ' THR . 8.0 t-105 -129.07 164.14 23.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -123.59 144.39 49.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 76' ' ' THR . . . -167.91 146.32 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.12 120.17 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.637 HD13 ' N ' ' A' ' 95' ' ' ASP . 1.6 tm? -99.0 118.76 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.637 ' N ' HD13 ' A' ' 94' ' ' LEU . 5.1 m-20 -104.22 114.89 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.628 HG23 HD12 ' A' ' 94' ' ' LEU . 69.4 t -103.22 120.35 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' VAL . 61.4 p -114.1 -178.48 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.485 ' HA ' HG12 ' A' ' 22' ' ' VAL . 51.6 mt-10 -95.96 -16.54 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.0 m -112.28 -53.83 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -68.35 95.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -129.06 158.54 38.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.09 -112.35 0.3 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -44.59 -54.32 6.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -107.35 144.36 34.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.53 -173.53 13.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 158.69 56.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.748 2.298 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.9 Cg_endo -69.78 126.9 13.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 16.3 mm -100.39 158.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 11' ' ' ILE . 65.4 mt -108.27 91.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -44.67 -43.61 8.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.75 112.95 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 -166.25 24.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.24 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.59 157.07 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -62.3 101.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -120.1 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -117.18 101.26 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -109.61 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.08 166.49 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.51 HG23 ' HA ' ' A' ' 70' ' ' ARG . 3.4 p -84.27 152.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 74.73 37.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.76 -123.33 2.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.579 HG22 ' CD2' ' A' ' 27' ' ' LEU . 23.9 m -160.83 124.07 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.24 106.13 16.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.579 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.5 mm? -95.53 97.51 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.854 ' O ' HG23 ' A' ' 63' ' ' THR . 8.0 mp -79.39 128.62 33.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -98.87 117.53 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 t -143.21 124.79 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -134.04 127.52 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.82 148.15 50.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -125.26 137.04 54.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.2 170.97 35.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 28.2 t70 -137.04 125.74 15.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.73 168.76 66.23 Favored 'Cis proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.38 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.503 HD13 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.64 121.12 14.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.941 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.3 Cg_endo -69.87 149.33 66.04 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -92.33 117.42 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.407 HG21 ' HA3' ' A' ' 62' ' ' GLY . 49.0 mm -74.33 108.14 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.471 ' O ' HG12 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -124.84 132.33 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.75 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 45.9 m95 -105.79 141.7 36.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 119.45 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -85.92 105.7 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.5 40.8 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.79 17.88 79.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -121.87 159.42 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -51.3 146.96 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 10.4 t80 -171.95 138.25 1.0 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.79 -41.0 0.98 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.331 -0.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . 91.23 80.53 1.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' GLY . 12.6 ptt-85 34.56 51.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 1.5 t70 -92.07 141.19 24.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 53' ' ' ASP . 54.4 Cg_endo -69.72 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -89.7 -38.39 13.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.647 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . . . -83.31 119.29 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 t -139.72 169.53 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.8 mt -120.64 146.06 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 61' ' ' GLN . 13.9 mm-40 -87.42 149.39 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -42.12 -25.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 59' ' ' GLN . 4.5 mp0 -89.65 -39.86 12.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . 139.61 -10.42 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 28' ' ' LEU . 90.1 m -57.58 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.507 HD12 ' CG ' ' A' ' 42' ' ' TRP . 6.9 tt -71.43 130.86 42.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -127.58 126.99 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.69 96.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -76.05 153.89 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 58.44 53.76 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.4 mt -49.88 169.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.51 ' HA ' HG23 ' A' ' 22' ' ' VAL . 12.5 mtp-105 -157.93 146.81 19.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.5 mm -51.19 -27.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -79.29 -24.17 43.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -66.27 -24.28 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.3 m -48.8 106.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.36 -165.88 13.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 92' ' ' ALA . 20.9 m -125.19 99.43 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 111.148 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.508 ' CZ ' HD21 ' A' ' 28' ' ' LEU . 1.4 p90 -80.58 166.36 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 90' ' ' TRP . 9.7 m -143.6 106.15 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 36.8 t -78.56 118.09 20.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 41' ' ' SER . 1.1 p -125.06 145.56 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.941 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.58 90.14 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -76.51 143.46 40.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -168.61 148.68 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.2 m -39.58 -42.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -58.17 -65.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.98 -143.72 3.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -172.5 114.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.941 0.4 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 15.4 t -114.78 153.04 31.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -133.48 155.04 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.546 ' O ' HG23 ' A' ' 78' ' ' THR . 10.5 t-105 -129.34 141.71 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -102.78 141.4 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 76' ' ' THR . . . -165.26 149.8 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -122.33 149.43 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.7 tp -127.51 111.16 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.17 118.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.24 114.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.42 ' O ' HG12 ' A' ' 22' ' ' VAL . 65.6 p -100.01 -175.6 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.81 -20.65 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 100' ' ' GLY . 9.3 t -121.82 -38.21 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -128.68 115.31 17.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -59.14 167.56 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.44 139.59 6.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -41.59 -50.21 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.826 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 m -74.37 130.59 39.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.94 -168.17 28.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.87 23.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 129.6 17.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.376 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.9 mt -124.35 140.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 11' ' ' ILE . 94.1 mt -89.76 85.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -48.7 -58.26 5.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -125.78 82.76 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' HG21 ' A' ' 11' ' ' ILE . . . -81.81 -171.41 45.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.75 160.3 39.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -68.98 108.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -122.24 150.57 42.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -119.84 95.97 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 20.3 mt -97.88 176.25 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.53 140.49 37.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 23' ' ' ASP . 2.4 p -46.34 156.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.482 ' N ' HG22 ' A' ' 22' ' ' VAL . 63.7 m-20 62.33 36.97 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.14 -127.13 3.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 m -163.6 119.3 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -89.9 113.33 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.27 80.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -89.23 102.5 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HG3' HG23 ' A' ' 63' ' ' THR . 18.9 mttt -85.55 138.95 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.8 t -134.6 84.33 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 11' ' ' ILE . 25.9 tttt -81.05 138.06 36.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.19 148.87 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -122.18 147.27 46.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.75 169.7 27.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 5.1 p-10 -141.6 121.98 8.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.598 0.713 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.5 Cg_endo -69.81 171.07 55.65 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.317 0.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.72 128.86 35.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.75 148.05 64.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -89.87 99.66 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.03 138.78 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -142.18 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CD2' HD12 ' A' ' 64' ' ' LEU . 98.1 m95 -153.89 135.54 14.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.3 mt -128.57 112.59 14.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -86.83 105.92 17.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 53.33 42.79 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.69 39.7 59.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -145.79 157.1 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 t -55.72 142.47 34.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 24.0 t80 -174.97 137.93 0.58 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.3 Cg_endo -69.68 -3.2 7.45 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.38 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.74 -115.38 7.75 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -119.24 54.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.78 133.77 20.83 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.232 . . . . 0.0 112.353 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -56.64 -54.86 41.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -70.59 140.95 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -156.82 165.41 36.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.474 HD11 ' CD ' ' A' ' 50' ' ' PRO . 20.1 mt -125.38 111.85 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.34 173.33 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -53.21 -40.52 64.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' GLY . 32.5 mm-40 -85.46 46.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 34.17 37.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.416 HG23 ' HG3' ' A' ' 29' ' ' LYS . 4.9 m -89.72 94.44 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -61.93 94.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -99.23 120.37 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 mt -120.02 113.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -90.31 156.4 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 m120 61.91 47.51 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 73' ' ' ASP . 37.2 mtp180 -145.92 140.11 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.6 mm -38.49 -27.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' ARG . 8.3 t -74.32 -43.76 55.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ARG . 1.9 m-20 -36.14 -36.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' ASP . 92.7 m -35.44 133.56 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.58 175.18 39.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 92' ' ' ALA . 43.9 m -98.39 110.97 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.135 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -85.39 148.5 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 91.1 m -139.23 105.28 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 46.6 t -83.76 116.85 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -108.18 123.09 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -110.39 100.01 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.3 m -93.9 151.26 19.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.4 p -174.93 153.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 t -45.67 -30.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.7 m -65.22 -55.23 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.97 -130.1 1.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -174.69 141.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 t -142.82 169.4 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.5 p -150.43 145.36 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -110.88 175.16 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.5 p -132.82 125.93 31.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 76' ' ' THR . . . -146.36 159.9 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.6 t -141.61 112.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.661 ' CD1' HG23 ' A' ' 96' ' ' VAL . 3.3 tm? -92.56 121.65 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.456 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -113.1 110.11 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.661 HG23 ' CD1' ' A' ' 94' ' ' LEU . 49.1 t -97.42 117.94 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.8 p -117.35 161.36 19.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.452 ' HA ' HG12 ' A' ' 22' ' ' VAL . 8.8 mm-40 -72.04 -39.77 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLY . 58.4 m -129.81 58.84 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -100.38 41.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -48.84 161.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.72 -108.4 3.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 m -74.22 157.37 36.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m 49.14 42.57 21.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.34 145.46 16.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.4 34.69 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 106.89 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mt -90.63 131.19 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 11' ' ' ILE . 63.5 mt -87.11 89.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' ILE . 19.6 mt -35.23 -42.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -169.27 107.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.79 -158.09 30.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.29 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.2 169.58 17.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -79.36 106.58 11.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -128.63 140.23 51.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -102.47 103.31 13.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 HD11 ' A' ' 94' ' ' LEU . 41.8 mt -106.4 -178.76 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.42 168.61 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.551 HG22 ' N ' ' A' ' 23' ' ' ASP . 10.2 p -91.25 164.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.551 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER 56.34 31.73 19.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.69 -135.92 4.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 m -138.51 123.28 18.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.38 119.02 38.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mt -111.21 118.25 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -110.86 131.91 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 134.17 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -147.49 111.58 5.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.2 mttp -112.5 157.29 21.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.12 139.99 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -120.1 132.58 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.35 177.89 42.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.535 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.9 t70 -142.99 123.82 8.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.578 0.704 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.81 -179.81 20.3 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 0.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -62.16 123.44 78.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.64 0.733 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.66 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.3 Cg_endo -69.7 142.25 47.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.7 t -85.89 109.58 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.473 HG23 ' SG ' ' A' ' 79' ' ' CYS . 47.1 mm -66.51 120.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -123.73 -176.42 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.802 ' CG ' HD12 ' A' ' 64' ' ' LEU . 91.1 m95 -152.92 136.23 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.06 113.61 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 33.4 tttp -83.64 100.41 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 60.1 45.45 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.69 79.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -154.6 155.05 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -50.88 139.39 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 45.1 t80 -172.31 138.76 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.75 -48.66 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.4 -126.56 8.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -97.25 48.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -116.97 126.12 27.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.1 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.288 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -46.37 -52.86 12.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.73 161.47 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -167.74 163.24 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.9 mt -126.02 129.44 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' GLN . 38.2 mm-40 -69.16 146.87 52.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mp0 -38.29 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' GLN . 31.9 mt-30 -82.85 -50.48 8.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.99 -16.87 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.5 m -48.52 111.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.172 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.802 HD12 ' CG ' ' A' ' 42' ' ' TRP . 2.1 tt -79.17 113.74 17.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -110.8 116.58 31.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.462 HG13 HD22 ' A' ' 64' ' ' LEU . 38.8 mt -114.65 124.86 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -102.47 158.6 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 55.81 51.04 12.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -52.01 169.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 73' ' ' ASP . 23.1 mtm180 -155.06 140.85 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.5 mm -42.48 -23.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.3 t -79.89 -38.93 31.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 70' ' ' ARG . 16.6 m-20 -42.88 -35.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 94' ' ' LEU . 95.4 m -42.65 115.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.64 -167.85 25.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.8 m -106.86 103.2 12.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.46 115.21 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.8 HG23 ' O ' ' A' ' 90' ' ' TRP . 31.3 m -107.79 108.36 19.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' A' ' 40' ' ' ILE . 6.1 t -78.01 113.69 16.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 88' ' ' THR . 86.7 t -109.15 131.31 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -114.76 99.47 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -87.56 144.79 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 84' ' ' SER . 73.6 p -167.46 146.25 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' SER . 19.8 m -35.57 -44.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -52.45 -60.43 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.23 -128.64 0.98 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -174.77 142.41 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 80' ' ' VAL . 11.1 t -141.01 170.86 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.8 p -150.92 159.17 44.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.8 ' O ' HG23 ' A' ' 78' ' ' THR . 15.6 t-105 -124.71 -177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.0 p -137.73 134.58 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -154.62 153.1 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -132.16 108.11 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.582 HD11 HD12 ' A' ' 20' ' ' LEU . 23.4 tp -89.65 117.82 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.74 101.67 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -92.06 125.85 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 p -117.88 -175.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.502 ' HA ' HG12 ' A' ' 22' ' ' VAL . 41.9 mt-10 -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.9 m -118.22 39.19 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.546 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -125.18 135.55 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m 51.98 41.52 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.19 -60.91 7.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -122.96 124.14 42.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -86.13 -50.96 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.4 -149.27 10.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' O ' HD12 ' A' ' 10' ' ' ILE . 54.6 Cg_endo -69.72 169.59 18.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.379 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 130.77 19.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.33 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 8' ' ' PRO . 5.4 mp -110.69 141.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -94.53 92.27 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.458 HD11 ' HB ' ' A' ' 33' ' ' THR . 35.4 mt -49.82 -60.3 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -132.26 102.8 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.0 -164.46 35.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.471 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.8 175.39 8.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.52 154.12 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.79 102.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -117.06 137.22 52.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.2 m -111.24 101.39 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 mt -106.98 177.74 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.2 147.21 24.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.616 HG23 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -59.84 158.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' N ' HG22 ' A' ' 22' ' ' VAL . 1.0 OUTLIER 63.33 40.53 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.66 -127.3 2.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.672 HG22 ' CD2' ' A' ' 27' ' ' LEU . 28.0 m -149.44 136.07 19.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.327 . . . . 0.0 111.159 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.21 112.21 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.6 mm? -107.63 115.15 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -97.75 115.35 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 125.52 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.4 145.16 30.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -158.96 124.48 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.51 134.26 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.458 ' HB ' HD11 ' A' ' 12' ' ' LEU . 14.6 t -108.82 150.75 27.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.67 -170.25 34.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.45 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 9.9 t70 -156.54 124.27 2.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.8 159.87 89.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD22 ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -47.86 121.79 8.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.674 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.6 Cg_endo -69.81 140.16 41.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.54 111.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.588 HG21 ' HA2' ' A' ' 62' ' ' GLY . 24.2 mm -65.35 145.58 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -154.27 160.0 41.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.751 ' CD1' HD12 ' A' ' 64' ' ' LEU . 94.6 m95 -131.42 126.56 35.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.5 mt -117.69 116.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -87.31 103.82 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 55.23 40.01 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.25 47.58 12.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -157.24 151.09 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 t -45.46 140.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 36.5 t80 -169.71 137.96 1.51 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.74 -36.98 2.14 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.329 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.61 -166.32 43.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -65.94 84.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.1 133.15 7.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.577 0.703 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -51.02 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -53.77 -56.57 16.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -88.79 133.61 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -163.2 160.15 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.5 mt -94.88 140.76 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -87.03 -68.6 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' GLN . 23.5 mm-40 -122.16 68.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' GLU . 40.2 mt-30 36.99 46.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.588 ' HA2' HG21 ' A' ' 40' ' ' ILE . . . 174.98 -55.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.7 m -71.74 87.43 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.751 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.7 tt -65.63 149.85 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.564 ' N ' HD23 ' A' ' 64' ' ' LEU . 33.0 tt0 -138.07 136.09 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 mt -136.04 110.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -95.31 159.84 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.6 m120 56.89 44.79 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -48.19 162.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.616 ' HA ' HG23 ' A' ' 22' ' ' VAL . 10.4 ptm180 -156.81 143.68 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' ARG . 48.5 mm -34.67 -35.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ARG . 47.1 t -61.48 -50.6 72.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ARG . 15.5 m-20 -38.07 -43.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' ASP . 95.7 m -35.28 97.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -153.13 176.79 31.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.8 m -98.76 116.49 31.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.168 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 65.6 m-85 -92.88 152.42 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.0 m -138.13 110.69 7.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.68 101.16 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.67 134.27 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.674 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -125.56 95.77 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -84.91 155.97 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 p -172.26 148.95 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' SER . 2.0 m -34.98 -44.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.9 m -58.31 -62.83 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.9 -146.65 4.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -150.76 140.87 22.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 t -135.91 157.0 47.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.3 p -142.14 163.05 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -132.63 165.69 23.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.9 p -118.47 138.46 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -166.38 165.0 17.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.2 t -150.2 146.47 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 tp -118.83 95.58 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.75 110.64 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.15 122.59 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 p -115.65 157.02 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.42 -39.96 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.6 t -114.46 43.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -71.51 124.21 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -48.58 148.42 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.92 -138.88 2.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -64.19 -59.91 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.819 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 m -84.4 155.37 22.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.65 -165.03 10.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' O ' HD12 ' A' ' 10' ' ' ILE . 53.7 Cg_endo -69.77 165.88 29.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.392 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 87' ' ' GLU . 54.5 Cg_endo -69.73 125.41 12.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 8' ' ' PRO . 4.8 mp -101.75 138.56 25.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.8 mt -93.85 86.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' ILE . 48.6 mt -35.45 -38.9 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -167.21 107.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.25 -162.75 37.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.69 ' HB3' HD12 ' A' ' 28' ' ' LEU . 53.5 Cg_endo -69.81 177.34 5.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.54 143.71 18.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -52.36 114.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -127.22 147.73 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -119.81 103.11 9.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.4 mt -109.61 -176.35 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.7 155.4 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' HA ' ' A' ' 70' ' ' ARG . 7.5 p -68.9 148.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.84 50.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.01 -128.43 2.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.423 HG22 HD12 ' A' ' 27' ' ' LEU . 8.4 m -147.52 131.32 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.142 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -124.98 113.63 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.49 ' O ' HD22 ' A' ' 28' ' ' LEU . 2.8 mp -107.74 143.44 36.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.989 HD11 ' CE1' ' A' ' 77' ' ' TYR . 2.1 mm? -119.05 107.27 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -77.28 133.68 38.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.07 131.84 12.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -143.85 127.0 16.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.78 147.87 46.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -115.38 149.45 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.73 166.0 19.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.457 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.6 t70 -139.31 122.78 10.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.75 165.15 77.36 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.335 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.7 131.43 27.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.962 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.6 Cg_endo -69.8 153.15 69.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.42 90.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 81' ' ' ALA . 15.1 mm -62.05 110.19 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.1 m -124.96 173.59 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 67.9 m95 -138.35 135.22 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -120.06 107.89 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -84.31 102.96 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 61.54 34.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.9 44.85 29.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -155.79 146.6 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -42.9 132.33 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.169 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 58.6 t80 -166.52 139.74 3.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.74 -45.49 0.42 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.318 -0.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.46 -128.48 9.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.33 -36.86 58.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -37.48 105.69 0.32 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -24.37 29.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.07 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -111.01 139.66 46.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -146.81 159.83 43.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.5 HG23 ' C ' ' A' ' 63' ' ' THR . 5.3 mt -123.56 124.2 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -62.47 -179.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -72.29 1.26 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -113.8 32.65 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.48 18.65 7.66 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.5 ' C ' HG23 ' A' ' 58' ' ' ILE . 98.0 m -86.54 100.37 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD21 ' HE1' ' A' ' 49' ' ' PHE . 4.3 tp -75.9 137.32 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -133.28 138.48 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.5 mt -133.04 124.15 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -105.21 162.24 13.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.66 44.66 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 26' ' ' ALA . 30.7 mt -48.68 165.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.633 ' HA ' HG23 ' A' ' 22' ' ' VAL . 18.6 ptt180 -157.1 138.84 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 28.4 mm -35.65 -31.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.0 t -68.79 -46.76 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ARG . 44.2 m-20 -42.69 -36.11 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -37.44 101.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.11 -175.73 22.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.927 HG23 ' O ' ' A' ' 92' ' ' ALA . 97.8 m -111.86 104.92 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.989 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -87.51 142.66 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.914 HG23 ' O ' ' A' ' 90' ' ' TRP . 73.1 m -125.98 112.37 15.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 22.7 t -84.42 99.76 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.3 137.82 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.962 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -123.57 93.55 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -82.6 154.38 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -168.73 148.29 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -40.44 -37.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 m -64.66 -68.54 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.818 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.35 -143.96 3.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.5 tm-20 -167.63 147.03 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.7 t -148.48 148.47 30.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.8 p -135.95 141.98 44.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.914 ' O ' HG23 ' A' ' 78' ' ' THR . 16.0 t-105 -107.98 169.68 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.1 m -129.3 145.78 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.927 ' O ' HG23 ' A' ' 76' ' ' THR . . . -174.76 171.87 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.67 143.67 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tp -115.15 115.98 27.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.0 106.59 18.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -92.37 118.56 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.9 p -111.5 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' HA ' HG12 ' A' ' 22' ' ' VAL . 37.7 mt-10 -92.45 -26.72 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -126.08 26.78 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -69.34 128.94 38.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -123.7 140.25 53.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 87.79 -103.21 2.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 98.1 p 35.49 43.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t -69.24 166.21 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.59 179.45 15.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 169.58 18.61 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 115.04 3.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -101.48 144.59 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 33.3 mt -95.79 93.21 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.6 mt -47.26 -50.8 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -133.6 90.94 2.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.97 -171.96 47.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.5 Cg_endo -69.79 151.4 68.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.92 171.88 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -82.2 105.83 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -120.25 143.18 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -113.2 97.85 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.4 mt -101.27 -175.24 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.93 130.37 56.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.531 HG22 ' N ' ' A' ' 23' ' ' ASP . 7.3 p -40.63 160.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.531 ' N ' HG22 ' A' ' 22' ' ' VAL . 21.0 t70 60.14 37.14 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.44 -136.04 4.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.434 HG22 ' CD2' ' A' ' 27' ' ' LEU . 17.4 m -148.9 117.07 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 111.162 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' C ' HD22 ' A' ' 27' ' ' LEU . . . -101.44 122.58 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 ' C ' ' A' ' 26' ' ' ALA . 3.3 mm? -109.66 108.55 18.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 3.0 mm? -94.65 106.42 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -79.95 122.69 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.9 t -144.29 115.16 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -128.54 133.04 48.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.02 140.27 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 t -109.21 149.48 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.65 153.89 6.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.451 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.1 m-20 -126.34 122.01 23.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.78 158.41 91.11 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.349 0.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.744 HD12 ' HD2' ' A' ' 38' ' ' PRO . 4.3 tp -53.9 138.6 54.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD2' HD12 ' A' ' 37' ' ' LEU . 53.7 Cg_endo -69.74 163.78 36.97 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 39' ' ' VAL . 71.7 t -101.44 82.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -43.08 135.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.151 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -146.14 176.4 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.692 ' CG ' HD12 ' A' ' 64' ' ' LEU . 98.6 m95 -143.54 130.85 20.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -120.13 119.07 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 42.8 tttt -91.73 107.37 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 51.31 40.9 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.26 33.84 52.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -140.5 153.61 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.968 0.413 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 t -51.67 141.64 16.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 21.9 t80 -169.82 137.93 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.743 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.83 -32.78 3.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 -1.814 . . . . 0.0 112.325 0.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.53 -111.13 2.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -78.82 44.84 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 17.7 m-20 -133.22 102.34 13.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 53' ' ' ASP . 53.2 Cg_endo -69.82 -47.51 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.643 2.229 . . . . 0.0 112.347 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 -47.09 -48.4 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 160.76 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.5 t -173.52 160.16 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.437 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 5.1 mp -114.93 125.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -78.98 167.96 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -46.73 -40.51 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -84.43 40.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . 39.19 52.56 2.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 m -109.67 107.25 17.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.692 HD12 ' CG ' ' A' ' 42' ' ' TRP . 0.6 OUTLIER -77.82 108.7 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -108.8 122.61 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.13 124.1 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -101.51 157.49 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 57.78 49.6 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -52.79 164.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.529 ' HA ' HG23 ' A' ' 22' ' ' VAL . 59.1 mtp180 -150.53 151.65 32.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 mm -50.41 -30.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.8 t -69.17 -40.8 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' THR . 9.0 m-20 -46.55 -38.7 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASP . 87.6 m -36.19 127.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.515 ' O ' HG13 ' A' ' 93' ' ' VAL . . . 178.28 -152.39 11.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 92' ' ' ALA . 83.2 m -127.86 119.49 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.177 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -96.64 129.36 44.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.0 m -117.69 102.57 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.18 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 88' ' ' THR . 21.6 t -113.93 122.79 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -109.06 94.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' CB ' ' A' ' 87' ' ' GLU . 25.7 m -84.92 152.12 23.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.3 p -168.19 175.93 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 t -65.28 -31.77 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -86.54 10.82 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.73 -170.7 13.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -138.82 172.36 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.74 ' O ' HG13 ' A' ' 80' ' ' VAL . 15.4 t -146.42 -179.01 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.0 p -154.46 154.81 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.6 t-105 -128.67 171.27 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.2 p -126.16 137.36 53.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 76' ' ' THR . . . -169.59 150.58 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 75' ' ' GLY . 88.7 t -133.61 130.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -104.34 95.79 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.11 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -96.02 112.56 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.4 p -108.35 167.24 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.37 -49.16 9.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.1 m -101.69 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 t -119.24 121.52 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -163.94 171.18 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.88 -131.82 1.98 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -119.52 38.94 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -54.76 -57.81 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.44 143.71 4.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 163.48 38.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 121.53 8.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -112.48 127.09 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 11' ' ' ILE . 97.3 mt -81.65 84.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.84 -54.79 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -130.0 94.23 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.03 -172.85 43.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.4 Cg_endo -69.73 -177.87 2.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.64 167.21 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -72.64 109.72 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' OE1' ' CD2' ' A' ' 28' ' ' LEU . 5.0 pt20 -126.34 140.44 52.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -104.91 94.8 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 94' ' ' LEU . 44.4 mt -102.46 -177.83 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.39 167.18 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -87.95 151.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t0 66.42 48.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.18 -127.19 2.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 HD22 ' A' ' 27' ' ' LEU . 4.8 m -151.5 110.68 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.148 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.28 101.43 13.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD22 HG22 ' A' ' 25' ' ' THR . 4.0 mm? -87.35 104.8 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 45.9 mt -91.2 122.43 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.97 128.02 34.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.9 t -153.71 109.41 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -128.11 133.9 49.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.42 150.01 52.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -116.21 148.53 40.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.48 142.4 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -112.57 122.6 35.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.78 169.78 61.75 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.313 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.92 133.83 92.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.746 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.78 152.02 69.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -90.36 96.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.507 HG21 ' HA3' ' A' ' 62' ' ' GLY . 38.1 mm -57.15 114.37 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -117.89 -176.08 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CD2' HD12 ' A' ' 64' ' ' LEU . 97.1 m95 -155.27 129.6 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.95 116.75 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -90.49 107.73 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 50.58 45.15 27.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.73 38.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -158.86 145.64 17.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -43.52 137.32 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' ' 64' ' ' LEU . 32.5 t80 -165.13 138.04 3.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.8 -35.76 2.58 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.352 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.68 -103.95 0.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.01 79.12 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -153.22 113.0 2.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -23.11 31.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -85.75 -41.52 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -78.83 151.97 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 t -173.84 156.82 2.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.452 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 45.8 mt -113.36 141.38 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.418 ' O ' HG22 ' A' ' 58' ' ' ILE . 6.6 mm100 -82.89 172.67 12.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -53.65 -38.58 64.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -78.5 -42.97 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.507 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . 135.6 29.66 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.516 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -86.66 116.1 24.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.572 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -83.73 113.7 21.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -113.71 110.41 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.567 HG13 HD22 ' A' ' 64' ' ' LEU . 12.7 mt -110.38 113.37 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -93.0 159.74 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 61.55 43.93 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.83 145.9 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -134.14 148.26 50.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.407 HD11 ' HG2' ' A' ' 98' ' ' GLU . 37.7 mm -46.37 -21.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -79.04 -38.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -39.54 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.88 -177.36 29.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 92' ' ' ALA . 20.7 m -96.74 110.09 22.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 111.148 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -89.51 116.97 28.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 90' ' ' TRP . 27.3 m -106.87 113.58 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.15 114.74 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.93 135.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.746 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -117.94 95.48 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -84.6 147.19 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 p -171.95 148.75 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 m -42.81 -38.63 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.1 p -61.31 -56.65 18.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.93 -146.06 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.29 131.91 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 t -131.61 161.9 31.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.6 p -142.86 148.71 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.66 ' O ' HG23 ' A' ' 78' ' ' THR . 11.8 t-105 -114.73 165.83 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m -122.52 140.8 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 76' ' ' THR . . . -170.4 161.85 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 93' ' ' VAL . 12.8 p -145.97 122.1 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.445 HD11 HD12 ' A' ' 20' ' ' LEU . 6.7 tp -92.34 126.45 37.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.57 91.6 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.3 t -80.36 122.13 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.7 p -114.28 164.12 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG2' HD11 ' A' ' 71' ' ' ILE . 24.8 mt-10 -75.18 -32.06 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' GLY . 3.3 m -99.99 -54.43 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -62.59 -49.52 74.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -76.96 140.8 40.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.4 -107.7 1.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -53.52 143.53 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -50.87 118.31 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.5 -157.84 11.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.06 22.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.377 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 139.9 41.37 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -135.19 124.27 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.21 95.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.89 -41.58 46.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -153.05 106.22 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.1 -171.19 44.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.2 Cg_endo -69.81 -173.27 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.276 . . . . 0.0 112.359 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.4 161.6 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -66.46 105.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.71 138.82 52.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 m -104.5 94.92 5.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.068 HD12 HD11 ' A' ' 94' ' ' LEU . 41.2 mt -94.38 -178.37 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -122.42 131.74 54.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 96' ' ' VAL . 52.6 t -33.73 143.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 60.61 48.95 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.5 -127.04 3.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.509 HG22 HD21 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -156.16 113.6 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.13 105.25 17.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.509 HD21 HG22 ' A' ' 25' ' ' THR . 3.6 mm? -104.64 87.39 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.66 114.53 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.37 147.65 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 t -161.87 110.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -121.38 128.16 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.39 135.01 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -109.34 139.99 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.8 174.0 38.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 12.9 t70 -142.92 122.32 7.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.69 169.11 64.66 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.356 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.86 130.6 66.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.938 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.73 151.25 69.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.4 t -98.06 87.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.41 HG23 ' SG ' ' A' ' 79' ' ' CYS . 36.8 mm -47.37 132.03 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -147.35 138.76 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.455 ' CZ3' ' HB2' ' A' ' 79' ' ' CYS . 57.0 m95 -108.98 139.23 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 mt -126.08 118.08 24.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -85.81 99.01 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.59 34.33 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 46.91 6.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -154.64 146.6 23.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -51.92 136.72 28.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.551 ' HE1' HD11 ' A' ' 64' ' ' LEU . 9.7 t80 -165.95 139.7 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.77 -44.26 0.53 Allowed 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.321 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.28 -108.47 3.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ASP . 2.3 tmt_? -88.63 -42.29 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' ARG . 3.0 m-20 -36.38 113.73 0.58 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -43.44 -36.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.01 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.2 t -134.31 158.78 42.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.76 122.61 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -64.3 162.23 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -50.85 -18.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 63' ' ' THR . 12.4 mm100 -103.65 48.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 39.32 25.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.3 m -85.34 94.79 9.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.651 HD21 HD11 ' A' ' 66' ' ' ILE . 4.4 tp -69.76 111.85 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -111.97 117.73 33.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.651 HD11 HD21 ' A' ' 64' ' ' LEU . 18.6 mt -117.72 118.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -95.47 159.83 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 57.29 45.91 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -52.3 158.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 25.5 mtt180 -145.51 142.94 29.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.552 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 47.2 mm -38.83 -37.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 t -63.72 -42.66 97.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.7 m-20 -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.4 m -49.3 132.05 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.95 -161.69 27.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.6 m -116.82 93.44 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 147.4 50.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 90' ' ' TRP . 34.9 m -133.94 100.96 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 16.3 t -82.13 101.62 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.87 142.23 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -120.85 99.48 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -83.68 149.28 26.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.9 t -173.01 140.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' SER . 30.3 t -36.78 -40.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -60.58 -65.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.04 -148.03 4.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -165.25 144.66 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.957 0.408 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 t -146.92 136.09 22.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 p -117.72 156.95 27.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.54 ' O ' HG23 ' A' ' 78' ' ' THR . 13.7 t-105 -120.45 175.95 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.8 p -136.96 131.39 32.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.57 179.76 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 94' ' ' LEU . 91.1 t -149.92 152.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.068 HD11 HD12 ' A' ' 20' ' ' LEU . 49.4 tp -128.49 95.86 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.13 106.0 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.6 HG12 HG23 ' A' ' 22' ' ' VAL . 98.0 t -95.89 131.61 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.415 ' OG1' ' CA ' ' A' ' 100' ' ' GLY . 64.4 p -117.75 128.5 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.03 -46.2 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -129.81 54.09 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.415 ' CA ' ' OG1' ' A' ' 97' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -126.48 85.15 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -105.59 172.56 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.13 99.23 0.9 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 62.4 p -130.78 123.26 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.6 m -37.25 116.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.63 171.39 43.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 169.2 19.45 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.02 36.93 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -118.31 139.49 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -93.62 88.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -38.89 -44.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -152.77 106.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.64 -164.94 35.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -172.5 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.78 159.57 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -62.0 105.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -115.58 149.44 38.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -116.75 98.91 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.439 HD12 HD11 ' A' ' 94' ' ' LEU . 26.7 mt -104.41 178.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -119.88 132.23 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.753 HG23 HG12 ' A' ' 96' ' ' VAL . 3.2 t -35.3 153.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 79.8 m-20 58.22 40.23 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.55 -132.29 4.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -155.72 117.03 3.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.09 116.25 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -110.8 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.613 HD21 ' CD2' ' A' ' 77' ' ' TYR . 6.2 mp -77.72 122.86 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -96.98 132.57 42.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 t -156.6 112.56 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -126.66 127.23 44.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.97 152.45 42.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -125.26 156.44 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.56 162.97 11.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.43 118.45 21.59 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.05 38.26 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.349 0.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 38' ' ' PRO . 1.6 tt -69.12 135.2 89.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.3 Cg_endo -69.8 152.76 69.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 39' ' ' VAL . 99.1 t -96.47 80.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' VAL . 44.4 mm -37.06 147.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -161.78 161.24 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.815 ' CG ' HD12 ' A' ' 64' ' ' LEU . 83.4 m95 -131.23 132.74 44.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.5 mt -120.91 128.98 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -99.03 97.9 8.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 61.78 40.02 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.6 40.66 31.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -148.69 153.74 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -55.86 135.77 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 74.8 t80 -167.46 137.28 2.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.572 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.76 -21.94 9.92 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.66 -104.36 2.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -126.04 46.87 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -106.68 123.2 39.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.74 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -26.58 27.14 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -43.74 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.5 t -163.9 175.91 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.7 mt -131.45 133.12 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -81.0 -177.2 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.92 -40.06 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -88.83 48.46 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 37.77 39.54 0.62 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -93.13 97.7 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.815 HD12 ' CG ' ' A' ' 42' ' ' TRP . 2.9 tt -67.76 117.05 9.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.7 117.89 30.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.477 HD11 HD22 ' A' ' 64' ' ' LEU . 6.5 mt -119.13 127.84 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -105.58 157.5 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 65.67 38.32 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.1 mt -39.47 153.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 73' ' ' ASP . 17.1 mtp85 -144.75 141.15 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.794 HD11 ' HG3' ' A' ' 98' ' ' GLU . 33.8 mm -39.44 -36.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.5 m -65.4 -42.98 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' ARG . 4.1 m-20 -43.5 -35.38 1.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 94' ' ' LEU . 93.8 m -47.37 109.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.94 -167.78 18.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 92' ' ' ALA . 92.8 m -105.11 96.01 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.613 ' CD2' HD21 ' A' ' 28' ' ' LEU . 67.2 m-85 -68.49 141.19 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 84.8 m -134.1 110.38 9.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -87.05 111.47 20.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.13 128.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -120.31 92.26 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -82.05 145.12 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.2 p -160.45 151.02 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.1 m -38.4 -37.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 p -65.09 -64.72 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.3 -148.88 5.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -150.95 135.33 16.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 t -132.11 141.93 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -126.08 147.98 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 13.1 t-105 -109.28 177.94 4.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.9 p -135.7 134.84 39.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' THR . . . -163.51 -179.68 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.53 146.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 74' ' ' THR . 10.7 tp -114.68 124.46 51.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.79 94.63 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.753 HG12 HG23 ' A' ' 22' ' ' VAL . 92.1 t -90.46 122.19 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.9 p -118.3 127.53 53.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.794 ' HG3' HD11 ' A' ' 71' ' ' ILE . 50.7 mt-10 -48.39 -36.23 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.3 t -123.35 56.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.502 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -85.15 131.43 34.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -143.37 111.31 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 -117.88 2.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -125.81 8.74 7.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -171.57 109.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.15 -156.86 9.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 169.94 17.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 138.44 37.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.8 mt -132.61 135.86 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.42 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 38.1 mt -90.9 88.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.88 -58.74 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -125.69 89.25 3.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.84 -159.65 24.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.2 Cg_endo -69.81 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 152.77 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -70.89 105.22 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -116.18 142.19 47.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -107.72 95.32 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 94' ' ' LEU . 14.4 mt -99.63 -175.77 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.52 136.16 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.62 148.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t70 69.46 36.77 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.35 -139.19 5.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.744 HG23 ' CD ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -146.95 120.1 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.09 112.87 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 103.01 12.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD13 HD22 ' A' ' 64' ' ' LEU . 5.1 mp -94.49 104.82 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -83.19 141.57 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 t -155.17 106.72 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -109.19 119.54 39.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 40' ' ' ILE . . . -123.26 139.51 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -117.54 143.42 46.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.23 -173.27 41.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.5 p-10 -156.96 127.15 3.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.74 154.02 93.09 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -35.54 119.26 0.64 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.962 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.82 143.21 49.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.343 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.78 110.37 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.521 HG23 ' SG ' ' A' ' 79' ' ' CYS . 26.1 mm -69.98 133.59 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 m -139.76 138.63 36.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.654 ' CD1' HD12 ' A' ' 64' ' ' LEU . 66.4 m95 -110.93 124.46 52.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.7 mt -111.94 122.19 47.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -91.15 103.0 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 57.45 40.26 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.06 49.56 21.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -159.84 149.9 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.412 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.6 t -47.71 140.04 6.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 56.8 t80 -172.12 139.87 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.75 -37.29 2.03 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.332 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.11 -112.23 3.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -115.27 7.96 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.94 122.66 88.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -32.96 17.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.619 2.213 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' NH2' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -53.16 -46.28 68.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.63 147.03 26.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.641 HG23 HE21 ' A' ' 59' ' ' GLN . 14.1 t -153.87 167.28 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt -114.5 135.88 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.641 HE21 HG23 ' A' ' 57' ' ' THR . 5.5 mp0 -116.59 159.92 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 43.62 25.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 57.87 45.06 19.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.35 -55.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 88.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 42' ' ' TRP . 4.8 tt -72.48 145.65 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.506 ' N ' HD23 ' A' ' 64' ' ' LEU . 7.8 tt0 -134.93 131.68 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.437 HG13 ' CD2' ' A' ' 64' ' ' LEU . 9.9 mt -136.62 121.9 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.744 ' CD ' HG23 ' A' ' 25' ' ' THR . 2.2 mmmm -104.97 -176.77 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 41.58 34.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.77 165.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -147.01 153.24 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.1 mm -52.27 -16.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.0 t -85.18 -45.22 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -41.11 -35.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.6 m -40.15 100.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.86 -174.05 17.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.524 ' O ' HG22 ' A' ' 76' ' ' THR . 5.6 m -111.69 92.72 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -67.35 166.41 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.1 m -145.69 107.27 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.521 ' SG ' HG23 ' A' ' 40' ' ' ILE . 6.0 t -84.97 103.73 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.5 134.76 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.962 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -115.36 111.65 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -98.67 145.9 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 p -160.39 -178.63 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -73.1 -20.11 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.7 m -80.51 -54.33 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.47 -135.2 1.86 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -168.28 149.32 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.4 t -148.87 130.04 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.3 p -107.86 162.38 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.476 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 10.5 t-105 -130.18 176.59 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -129.91 142.85 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.84 151.97 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -141.07 133.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 20' ' ' LEU . 33.8 tp -103.98 106.64 17.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -89.73 103.6 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.2 t -100.03 118.74 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -117.34 166.7 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -73.44 -35.36 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -117.27 38.69 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.563 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.798 0.249 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.24 142.55 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 11' ' ' ILE . 74.9 mt -99.87 87.74 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -39.77 -45.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -151.51 117.42 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.6 -170.95 21.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 156.74 62.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.8 168.22 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -73.38 102.63 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.522 ' NE2' HD13 ' A' ' 28' ' ' LEU . 14.2 pt20 -117.81 138.53 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.6 m -106.09 94.19 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.616 HD12 HD11 ' A' ' 94' ' ' LEU . 68.8 mt -94.67 172.84 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.27 130.93 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 70' ' ' ARG . 5.4 p -41.79 151.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.455 ' CG ' HG22 ' A' ' 22' ' ' VAL . 5.1 m-20 71.27 30.88 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.9 -158.76 10.05 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.528 HG22 ' CD2' ' A' ' 27' ' ' LEU . 9.4 m -121.8 120.54 34.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.648 ' C ' HD22 ' A' ' 27' ' ' LEU . . . -97.93 125.08 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.648 HD22 ' C ' ' A' ' 26' ' ' ALA . 3.4 mm? -119.67 106.28 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mm? -99.44 102.96 14.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.32 139.16 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -155.12 112.18 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -122.86 123.41 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.75 143.91 49.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -115.98 150.53 37.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -175.6 166.55 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 36' ' ' PRO . 37.2 t0 -134.98 93.13 17.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.3 Cg_endo -69.69 -177.64 14.87 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.65 147.12 86.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.828 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.84 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.61 102.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 79' ' ' CYS . 42.0 mm -58.85 139.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.4 m -156.17 140.03 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.714 ' CG ' HD12 ' A' ' 64' ' ' LEU . 84.8 m95 -111.14 123.61 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.77 119.7 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -93.27 102.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 59.05 31.37 21.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.14 41.0 9.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.19 146.12 28.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.962 0.41 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -52.58 130.79 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 35.5 t80 -164.19 140.55 5.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.81 -33.79 3.3 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.323 0.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.552 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.47 144.78 33.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -165.31 169.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.7 m -104.11 107.73 18.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.714 HD12 ' CG ' ' A' ' 42' ' ' TRP . 1.3 tt -78.24 110.9 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -112.53 121.24 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 mt -124.15 123.4 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -101.31 156.64 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.0 45.42 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 26' ' ' ALA . 36.2 mt -45.72 171.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.594 ' HA ' HG23 ' A' ' 22' ' ' VAL . 58.3 mtt180 -152.92 143.6 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.532 HD13 HG12 ' A' ' 96' ' ' VAL . 29.1 mm -52.62 -20.83 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -84.42 -29.18 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -55.24 -35.7 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.5 m -38.77 116.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.27 -169.19 24.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 m -102.9 111.24 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -90.92 137.67 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -132.62 104.48 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' A' ' 40' ' ' ILE . 9.0 t -80.93 96.73 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 t -87.45 133.28 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.828 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -127.87 81.65 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.0 m -82.0 133.77 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 85' ' ' SER . 60.5 p -135.63 150.82 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -37.41 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 83' ' ' SER . 3.1 m -69.1 -73.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 -139.74 3.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 87' ' ' GLU . 1.2 tm-20 -153.68 150.02 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -154.7 162.68 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.59 153.91 29.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -109.11 175.28 5.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.9 p -136.64 127.38 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.73 146.27 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -123.38 130.66 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.616 HD11 HD12 ' A' ' 20' ' ' LEU . 12.5 tp -99.96 97.66 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.35 111.21 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.532 HG12 HD13 ' A' ' 71' ' ' ILE . 91.9 t -98.51 119.12 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.4 p -115.05 163.86 15.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.482 ' HA ' HG12 ' A' ' 22' ' ' VAL . 35.5 mt-10 -81.39 -41.17 22.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.1 p -119.78 41.59 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.794 0.248 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mt -113.15 135.24 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.516 HG13 HG21 ' A' ' 88' ' ' THR . 84.9 mt -94.24 94.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -46.33 -47.81 18.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -148.33 116.14 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.07 -169.07 29.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.74 166.2 28.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.85 158.3 43.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -63.53 109.31 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' HD12 ' A' ' 94' ' ' LEU . 8.5 pt20 -124.84 142.81 51.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -109.66 100.18 9.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.711 HD12 HD11 ' A' ' 94' ' ' LEU . 5.8 mt -106.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.63 146.07 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 23' ' ' ASP . 14.8 p -60.61 154.56 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 22' ' ' VAL . 15.2 t0 71.04 29.65 2.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.73 -137.47 4.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.456 HG22 ' CD2' ' A' ' 27' ' ' LEU . 15.1 m -143.14 127.05 17.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.03 116.32 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' CD2' HG22 ' A' ' 25' ' ' THR . 1.5 mm? -110.47 93.25 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 77' ' ' TYR . 6.2 mp -84.5 103.15 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 134.04 50.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 t -156.43 114.28 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -124.25 135.08 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -146.21 145.87 30.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 t -114.82 150.2 35.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -172.88 165.15 37.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' PRO . 4.1 t70 -134.63 92.65 19.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.85 -178.39 16.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.282 0.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.94 147.16 88.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.839 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.79 148.79 65.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.82 88.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.0 mm -43.94 122.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -135.65 171.94 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 84.2 m95 -143.49 126.25 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -116.57 118.77 33.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 73' ' ' ASP . 23.0 tttt -93.87 101.83 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 62.52 36.37 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.16 42.0 25.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -148.11 142.57 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -52.76 135.67 35.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.607 ' HE1' HD11 ' A' ' 64' ' ' LEU . 1.4 t80 -168.84 142.87 2.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.8 -29.44 5.71 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.37 -0.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' OD1' ' A' ' 68' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.836 0.35 . . . . 0.0 110.825 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.22 158.64 15.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -174.75 172.18 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.413 ' CG2' HD13 ' A' ' 27' ' ' LEU . 12.3 m -105.81 113.64 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 0.0 111.14 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.607 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -72.93 111.97 8.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -112.15 123.66 50.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 mt -131.39 124.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.426 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 68.3 mttt -104.4 178.3 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.428 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 5.8 m120 42.24 44.42 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -49.42 161.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -142.9 148.68 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -47.97 -21.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -80.08 -37.91 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.423 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 24.3 m-20 -44.24 -36.98 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -41.57 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.59 -172.55 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 92' ' ' ALA . 28.6 m -102.6 114.66 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.184 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.402 ' CD2' HD21 ' A' ' 28' ' ' LEU . 40.3 m-85 -88.81 142.01 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 93.5 m -132.83 88.17 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 7.5 t -64.24 113.35 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -107.6 144.77 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.839 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -131.11 88.99 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 m -86.9 144.69 26.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.0 p -156.29 159.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 t -50.31 -31.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -72.67 -68.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.94 -135.42 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -170.41 148.56 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.517 ' CG2' ' HB3' ' A' ' 81' ' ' ALA . 8.9 t -143.21 165.68 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.9 p -150.43 158.75 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.452 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 13.2 t-105 -126.22 177.15 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.9 p -130.33 138.31 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -164.28 160.86 21.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.72 114.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.711 HD11 HD12 ' A' ' 20' ' ' LEU . 52.5 tp -87.54 145.52 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -125.59 105.6 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.89 116.84 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.8 p -112.49 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -77.28 -29.57 53.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -128.98 43.4 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.741 0.226 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 11.7 mm -97.54 152.82 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 56.0 mt -113.7 102.39 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -52.82 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -133.94 102.9 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.56 -167.73 38.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.6 Cg_endo -69.76 -179.17 2.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.95 150.39 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -58.08 114.0 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -128.72 150.64 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.423 HG23 ' HB3' ' A' ' 95' ' ' ASP . 68.5 m -116.17 102.97 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 mt -107.62 179.12 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.98 144.15 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 23' ' ' ASP . 9.3 p -62.79 162.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' HG22 ' A' ' 22' ' ' VAL . 4.2 m-20 55.46 49.36 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.09 -125.98 2.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -146.94 112.94 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 111.16 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -102.37 113.18 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 28' ' ' LEU . 5.9 mp -109.63 150.68 27.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD21 ' CE2' ' A' ' 77' ' ' TYR . 7.4 mp -128.11 138.29 52.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.1 123.34 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 t -146.44 117.69 7.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.88 126.49 39.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.22 158.32 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 t -136.12 150.3 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.13 156.12 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.6 t70 -124.05 122.64 26.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.76 159.71 89.23 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.331 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.68 134.65 86.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.646 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.79 153.4 68.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 39' ' ' VAL . 71.3 t -96.85 82.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 50.1 mm -37.43 142.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -151.23 169.03 22.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 92.7 m95 -138.42 122.35 17.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.55 115.19 29.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -93.05 101.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 58.64 43.1 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.4 43.15 63.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -153.09 153.22 32.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.8 t -57.38 138.84 54.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.634 ' HE1' HD11 ' A' ' 64' ' ' LEU . 28.5 t80 -170.09 140.29 1.62 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.697 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 53.3 Cg_endo -69.79 -47.51 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.34 0.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.697 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -72.74 110.14 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 t -134.29 172.81 12.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 50' ' ' PRO . 16.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -84.01 105.18 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.199 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.634 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -73.25 109.04 6.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.19 130.92 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 mt -129.37 124.23 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -102.42 154.18 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.5 m120 63.23 50.86 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 26' ' ' ALA . 7.7 mt -57.45 162.89 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 71.0 mtt-85 -140.21 145.44 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.5 mm -49.35 -21.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -85.56 -29.51 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 70' ' ' ARG . 91.3 m-20 -51.71 -31.29 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 94' ' ' LEU . 90.3 m -44.16 102.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.13 178.51 26.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.0 m -103.71 106.99 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.602 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -94.25 164.73 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m -144.25 125.34 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 5.7 t -89.07 103.51 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 88' ' ' THR . 48.3 t -98.59 141.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.646 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -126.96 91.4 3.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -83.18 133.36 35.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 p -146.16 151.49 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 t -38.9 -34.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -70.0 -70.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.48 -128.25 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -174.64 140.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 81' ' ' ALA . 14.6 t -126.83 175.78 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.3 p -155.0 150.12 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.509 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 t-105 -128.82 112.31 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.5 p -70.17 144.5 51.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -174.19 156.25 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 94' ' ' LEU . 10.1 p -134.21 163.01 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 74' ' ' THR . 8.9 tp -126.89 139.68 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -117.59 106.33 13.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 22' ' ' VAL . 67.7 t -105.0 109.31 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.2 p -119.68 161.33 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.56 -39.11 93.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -86.29 -51.31 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.763 0.234 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mt -106.83 128.61 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 31' ' ' LYS . 59.2 mt -85.29 86.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -41.84 -43.86 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -152.74 110.27 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.25 -164.83 34.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -166.8 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.65 147.99 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -59.62 113.96 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -127.62 142.51 51.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -109.26 99.24 8.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.99 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 171.46 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 97' ' ' THR . 8.5 p -91.33 151.68 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 64.6 29.18 13.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.16 -114.63 2.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -160.77 124.84 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 0.0 111.099 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.83 122.72 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -110.11 145.64 36.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 5.9 mp -126.65 111.76 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -85.25 117.4 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.4 t -139.96 106.04 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 11' ' ' ILE . 23.4 tttp -108.25 166.54 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.39 146.15 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -119.03 144.7 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.78 158.03 8.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -131.99 122.57 18.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.75 151.18 91.18 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.324 0.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.1 mt -47.13 140.59 6.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.879 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.0 Cg_endo -69.73 146.36 60.16 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.738 2.292 . . . . 0.0 112.36 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.7 t -86.54 85.77 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.51 134.26 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -147.67 178.3 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 1.004 ' CG ' HD12 ' A' ' 64' ' ' LEU . 84.4 m95 -144.1 120.6 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.36 115.18 29.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -87.62 100.93 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 59.07 41.76 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.4 42.49 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -155.62 149.05 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -49.67 141.47 9.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 27.0 t80 -171.73 139.75 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.74 -3.06 7.43 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.339 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.798 0.332 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 50' ' ' PRO . . . -72.91 164.73 26.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.6 t -168.9 160.09 9.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -98.99 91.6 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.103 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.004 HD12 ' CG ' ' A' ' 42' ' ' TRP . 4.1 tt -71.3 111.46 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -115.83 122.56 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.4 120.12 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -96.11 161.33 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 54.79 51.89 13.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.1 mt -53.57 157.59 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 4.9 ptp180 -140.85 152.95 45.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -55.1 -17.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -86.45 -27.02 24.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.407 ' CG ' ' HG3' ' A' ' 70' ' ' ARG . 59.1 m-20 -62.35 -14.81 43.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 96.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.76 175.76 31.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.6 m -92.74 124.79 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -99.45 153.94 18.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 90' ' ' TRP . 35.6 m -137.92 115.27 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 25.3 t -89.99 107.26 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.69 134.47 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.879 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -121.81 97.3 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 m -92.45 149.61 21.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.4 t -170.03 145.92 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' SER . 29.3 t -36.59 -40.83 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -63.05 -68.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.41 -150.98 5.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 88' ' ' THR . 37.4 tt0 -160.94 156.42 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 10.1 t -154.04 168.96 24.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.1 p -148.47 149.76 32.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.443 ' O ' HG23 ' A' ' 78' ' ' THR . 9.1 t-105 -123.09 157.9 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.2 p -112.49 145.94 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.47 149.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.01 143.47 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.447 ' HG ' HG23 ' A' ' 96' ' ' VAL . 14.9 tp -114.0 108.79 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.23 96.2 10.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' HG ' ' A' ' 94' ' ' LEU . 70.0 t -88.34 124.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' VAL . 33.9 p -118.77 179.78 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 22' ' ' VAL . 59.0 mm-40 -89.65 -22.0 22.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.3 m -110.53 -41.08 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.73 0.221 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.8 mt -117.15 119.45 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' CG2' ' CA ' ' A' ' 14' ' ' GLY . 90.8 mt -72.12 92.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -59.01 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.72 79.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.422 ' CA ' ' CG2' ' A' ' 11' ' ' ILE . . . -66.93 -163.4 1.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -165.76 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -69.46 108.1 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.06 140.29 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -111.14 96.98 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 94' ' ' LEU . 6.7 mt -103.37 175.74 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 141.54 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 70' ' ' ARG . 2.7 p -48.55 150.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 66.64 39.29 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.35 -127.35 3.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.409 HG22 ' CD2' ' A' ' 27' ' ' LEU . 23.2 m -163.72 114.71 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 111.159 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.19 125.76 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.5 mm? -112.19 99.62 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.5 mp -88.29 108.05 19.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -92.64 115.31 27.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.65 86.54 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -83.99 127.64 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.9 149.85 42.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -118.53 140.02 50.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.76 138.8 2.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.465 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 t70 -114.2 122.78 33.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.8 169.52 63.13 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -53.38 133.27 53.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.749 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.77 151.67 69.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.635 2.224 . . . . 0.0 112.372 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 80.3 t -89.83 83.87 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mm -48.47 107.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -112.65 -176.59 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.89 ' CG ' HD12 ' A' ' 64' ' ' LEU . 88.1 m95 -155.73 129.98 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.9 mt -121.76 118.48 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HD2' ' CE1' ' A' ' 49' ' ' PHE . 25.8 tttt -89.84 97.91 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 58.6 45.36 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.78 27.64 68.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.47 151.22 51.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -49.52 137.68 14.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 12.2 t80 -162.01 138.17 5.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.554 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.82 -43.74 0.58 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.347 0.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.336 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.75 147.58 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.3 t -161.31 176.11 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -39.87 104.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 42' ' ' TRP . 5.8 tt -71.32 124.99 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -121.74 126.32 48.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.1 125.59 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -105.58 159.43 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 59.24 43.88 16.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.53 162.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HA ' HG23 ' A' ' 22' ' ' VAL . 11.7 mtp-105 -149.86 143.37 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.1 mm -40.22 -26.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' ARG . 27.1 p -75.62 -44.66 41.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ARG . 75.0 m-20 -41.37 -35.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -39.26 117.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.2 -163.66 22.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.3 m -121.98 106.87 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.48 ' CD2' HD21 ' A' ' 28' ' ' LEU . 49.0 m-85 -85.88 138.16 32.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 90' ' ' TRP . 93.6 m -118.31 98.39 6.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.3 t -70.23 118.52 13.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 88' ' ' THR . 21.2 t -117.54 127.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -111.63 89.63 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -82.13 137.52 34.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.2 p -155.98 150.42 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -49.57 -25.56 2.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -77.25 -53.94 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.4 -150.24 5.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -169.8 141.97 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.489 ' O ' HG13 ' A' ' 80' ' ' VAL . 8.5 t -138.21 -176.61 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.403 ' N ' ' OG1' ' A' ' 88' ' ' THR . 45.7 p -154.65 159.48 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.452 ' O ' HG23 ' A' ' 78' ' ' THR . 7.0 t-105 -136.39 172.24 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 t -133.42 142.83 48.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.68 146.46 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -121.62 130.35 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.65 HD11 HD12 ' A' ' 20' ' ' LEU . 35.2 tp -105.82 87.57 2.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.35 111.96 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.8 t -103.44 126.06 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.3 p -124.52 167.42 14.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.402 ' HA ' HG12 ' A' ' 22' ' ' VAL . 32.0 mt-10 -81.85 -35.63 29.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.0 m -123.84 42.77 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.758 0.232 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 15.1 mm -109.55 153.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 11' ' ' ILE . 61.6 mt -101.83 86.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -45.48 -44.78 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -153.48 106.39 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.79 -165.32 37.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -165.55 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.03 171.68 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.89 115.88 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.08 146.2 51.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 m -117.54 103.59 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 42.5 mt -108.24 -179.08 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.76 176.03 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 98' ' ' GLU . 15.0 p -95.39 147.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 68.41 36.21 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.72 -116.45 2.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -159.55 123.57 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -102.88 112.47 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.49 114.7 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.916 HD21 ' CE1' ' A' ' 77' ' ' TYR . 5.9 mp -98.97 141.95 31.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 124.0 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.21 122.77 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -129.7 121.92 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 40' ' ' ILE . . . -129.21 141.72 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.062 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -114.54 140.57 48.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.02 161.35 30.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 36' ' ' PRO . 8.9 t70 -133.93 104.44 11.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.74 174.31 40.99 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.346 0.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.436 HD23 ' HD2' ' A' ' 38' ' ' PRO . 7.1 mt -64.24 139.21 97.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.896 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.0 Cg_endo -69.76 160.75 48.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.63 86.06 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.596 HG21 ' HA2' ' A' ' 62' ' ' GLY . 23.1 mm -49.64 119.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -131.03 176.15 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.515 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 72.9 m95 -143.83 141.14 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.4 mt -128.01 118.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 24.0 tttt -80.28 102.84 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 53.79 28.62 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.56 21.77 33.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -127.38 149.81 49.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -45.05 135.85 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 10.2 t80 -169.32 138.24 1.65 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.78 -27.61 6.73 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.358 0.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.548 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.771 0.32 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.67 155.43 16.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.9 t -162.1 166.17 26.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.784 HD13 HD12 ' A' ' 64' ' ' LEU . 1.7 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.596 ' HA2' HG21 ' A' ' 40' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.3 m -74.82 88.82 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 58' ' ' ILE . 5.9 tp -66.45 119.62 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -116.06 150.1 37.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.6 mt -136.11 146.15 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -124.37 150.84 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.0 48.65 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.7 mt -53.13 156.45 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -146.22 144.9 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.52 -22.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.3 p -80.23 -37.59 32.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' THR . 1.3 m-20 -49.79 -35.88 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASP . 35.4 m -37.94 111.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.075 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.73 -166.34 19.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.455 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.913 HG23 ' O ' ' A' ' 92' ' ' ALA . 76.7 m -122.15 105.82 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.916 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.2 p90 -86.52 159.36 19.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 90' ' ' TRP . 98.7 m -130.4 108.26 9.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 9.0 t -79.07 104.54 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.85 138.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.896 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.76 91.91 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -82.09 153.32 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.1 p -167.1 151.33 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.3 t -45.93 -22.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -78.9 -65.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.17 -141.87 3.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -172.34 125.16 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 t -129.13 152.09 49.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.5 p -134.87 155.04 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.701 ' O ' HG23 ' A' ' 78' ' ' THR . 11.4 t-105 -119.9 -177.0 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.0 p -147.06 138.73 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.913 ' O ' HG23 ' A' ' 76' ' ' THR . . . -167.26 162.48 14.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.438 HG22 ' OG1' ' A' ' 76' ' ' THR . 93.3 t -129.33 143.89 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 tp -121.92 121.71 37.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.1 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.34 120.97 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.5 p -111.05 178.8 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.541 ' HA ' HG12 ' A' ' 22' ' ' VAL . 46.9 mt-10 -83.69 -37.25 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 100' ' ' GLY . 54.8 m -98.89 -51.49 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.789 0.246 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.1 mt -108.91 127.85 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 mt -79.69 81.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -40.3 -38.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -162.83 110.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.89 -160.92 34.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.1 Cg_endo -69.72 -169.87 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.367 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.6 156.54 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 106.84 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -123.31 136.52 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -103.6 100.26 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 71.7 mt -104.77 -179.6 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' HA3' ' A' ' 100' ' ' GLY . . . -104.85 143.25 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 23' ' ' ASP . 9.7 p -57.75 157.37 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.431 ' N ' HG22 ' A' ' 22' ' ' VAL . 18.5 m-20 56.98 51.09 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.78 -117.63 1.46 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.52 HG22 HD21 ' A' ' 27' ' ' LEU . 1.5 m -159.13 116.77 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -104.71 117.26 33.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -110.68 116.23 30.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.9 mp -100.32 97.43 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -66.28 135.85 55.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 t -155.47 140.0 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -143.69 134.45 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.7 130.39 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -103.55 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 169.41 17.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.467 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 6.0 t70 -143.21 123.03 7.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.7 149.8 89.0 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.337 -0.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.793 HD12 ' HD2' ' A' ' 38' ' ' PRO . 4.7 tp -37.79 136.88 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.953 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.9 Cg_endo -69.82 172.68 12.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -117.65 88.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mm -44.35 124.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.569 ' HB2' HG13 ' A' ' 80' ' ' VAL . 7.5 m -134.77 133.33 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -110.46 119.11 38.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.9 mt -107.79 109.26 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -82.74 105.83 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 55.25 40.72 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.63 49.04 20.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -156.49 148.11 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -52.71 129.85 30.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 43.6 t80 -158.53 138.04 8.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.612 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 53.4 Cg_endo -69.77 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.318 0.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -84.59 130.85 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -161.3 160.84 30.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 m -108.51 99.67 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 112.19 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.402 ' NE2' ' HE2' ' A' ' 67' ' ' LYS . 18.0 tt0 -110.23 135.45 50.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.02 126.02 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HE2' ' NE2' ' A' ' 65' ' ' GLN . 25.9 mttm -103.99 153.48 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 60.77 48.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.33 160.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -138.14 147.48 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.14 -20.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -87.41 -31.2 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -50.34 -24.97 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 94' ' ' LEU . 93.9 m -47.77 100.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.92 -177.55 20.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 76' ' ' THR . 3.7 m -107.25 95.59 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.548 ' CD2' HD21 ' A' ' 28' ' ' LEU . 54.8 m-85 -75.48 149.18 38.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 90' ' ' TRP . 54.4 m -128.6 115.2 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.2 t -88.4 100.3 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 41' ' ' SER . 1.3 p -111.86 125.17 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.953 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -110.0 95.14 5.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -79.67 154.83 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.1 p -167.13 151.06 6.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 m -42.05 -39.7 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.8 t -60.91 -70.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.37 -139.63 3.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -165.34 141.11 5.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 80' ' ' VAL . 6.0 t -138.58 156.93 47.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -142.42 153.88 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.448 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 12.6 t-105 -121.96 -177.29 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 99.4 p -137.76 139.33 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 76' ' ' THR . . . -168.51 168.31 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.5 p -153.33 140.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.45 ' HG ' HG23 ' A' ' 96' ' ' VAL . 14.7 tp -106.96 113.77 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.98 87.12 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.45 HG23 ' HG ' ' A' ' 94' ' ' LEU . 74.8 t -83.92 118.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.6 p -131.0 168.15 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.61 -36.62 78.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.5 p -89.69 -27.86 19.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.487 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.726 0.219 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -119.29 127.99 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -86.3 95.87 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.45 -55.73 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -124.61 87.45 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.11 -170.21 45.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.7 Cg_endo -69.74 -178.12 2.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.97 141.39 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -52.71 107.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -120.96 156.0 33.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.6 m -123.43 107.38 11.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.2 mt -114.61 171.72 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 153.36 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.587 HG22 ' N ' ' A' ' 23' ' ' ASP . 7.3 p -63.76 162.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.587 ' N ' HG22 ' A' ' 22' ' ' VAL . 12.2 t70 59.61 32.21 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.7 -162.92 11.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.605 HG22 ' CD2' ' A' ' 27' ' ' LEU . 7.1 m -119.15 120.94 38.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 111.15 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.17 114.25 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.1 mm? -111.42 107.04 16.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.768 HD21 ' CE2' ' A' ' 77' ' ' TYR . 7.1 mp -92.4 134.13 35.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.02 139.1 38.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 t -161.19 108.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -116.75 112.66 21.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.29 149.31 39.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 t -123.58 135.44 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.72 166.51 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 15.1 t70 -140.67 122.01 9.24 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.77 150.47 90.24 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.334 0.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -40.16 133.37 1.52 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.956 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.81 165.67 30.25 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.16 92.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.412 HG21 ' HA3' ' A' ' 62' ' ' GLY . 28.4 mm -52.84 128.47 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.405 ' HB2' HG13 ' A' ' 80' ' ' VAL . 8.5 m -141.76 148.71 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.89 ' CD1' HD12 ' A' ' 64' ' ' LEU . 80.4 m95 -120.26 120.48 36.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -104.23 112.57 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.532 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tttm -95.74 106.95 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 60.63 34.05 20.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.6 46.14 49.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.98 139.7 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -40.55 130.82 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 3.5 t80 -161.75 140.15 7.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.689 0.757 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.2 Cg_endo -69.78 -2.9 7.41 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.359 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.808 0.337 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.43 145.51 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -163.6 161.74 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.457 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 73.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.3 m -92.95 93.19 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.134 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.89 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.4 tt -60.03 144.93 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' N ' HD23 ' A' ' 64' ' ' LEU . 8.1 tt0 -145.67 122.02 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt -124.71 112.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -93.72 147.32 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 66.94 53.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.62 164.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 63.4 mtp180 -144.86 137.5 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.454 HD11 ' CG ' ' A' ' 98' ' ' GLU . 12.4 mm -39.73 -29.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' ASP . 20.2 t -77.63 -42.63 34.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 52.6 m-20 -37.71 -38.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.9 m -38.86 99.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.95 -177.04 21.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 92' ' ' ALA . 84.9 m -111.15 112.61 24.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 111.119 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.768 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -100.78 156.9 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.9 m -135.03 116.34 14.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.4 t -83.6 106.12 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 88' ' ' THR . 1.1 p -114.72 139.4 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.956 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -121.92 98.61 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -83.32 150.29 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -166.8 157.84 12.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -52.12 -27.43 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.0 m -71.73 -66.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.23 -138.34 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -173.52 139.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 80' ' ' VAL . 15.2 t -141.91 161.1 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -141.53 146.02 35.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.44 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.8 t-105 -118.85 122.25 41.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.8 p -79.74 142.85 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 76' ' ' THR . . . -173.05 161.84 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 94' ' ' LEU . 8.9 p -142.02 162.0 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.565 ' N ' HG22 ' A' ' 93' ' ' VAL . 5.9 tp -131.82 122.29 25.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -102.94 118.02 35.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.64 116.3 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.7 p -106.83 -178.5 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.454 ' CG ' HD11 ' A' ' 71' ' ' ILE . 53.0 mt-10 -98.36 -25.16 14.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.2 p -127.37 34.95 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.767 0.236 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.46 128.0 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -81.58 85.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -39.09 -46.02 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -155.28 105.95 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.08 -157.64 33.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -178.49 2.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.18 154.44 27.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -64.93 105.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.05 147.7 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -114.45 96.03 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 23.5 mt -98.63 170.74 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.6 138.25 38.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 98' ' ' GLU . 9.4 p -50.79 159.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.507 ' N ' HG22 ' A' ' 22' ' ' VAL . 36.1 m-20 62.17 38.02 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.45 -140.58 4.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 27' ' ' LEU . 10.8 m -140.12 127.9 21.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -109.79 110.28 21.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.3 mm? -100.36 107.79 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.8 mp -95.88 104.69 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -77.97 144.14 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -166.33 133.43 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -145.79 133.57 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.17 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t -99.73 152.56 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.04 168.69 21.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.8 t70 -140.66 122.13 9.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.77 163.7 81.17 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.351 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.33 133.21 42.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.676 0.75 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.783 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.5 Cg_endo -69.81 163.05 39.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.53 82.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.597 HD13 ' HB2' ' A' ' 81' ' ' ALA . 26.0 mm -44.81 141.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -151.37 143.16 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.803 ' CD1' HD12 ' A' ' 64' ' ' LEU . 85.3 m95 -111.96 126.8 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -118.47 110.91 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 11.1 ttmt -86.33 109.53 19.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.55 39.83 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.27 41.61 68.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' THR . 92.9 m-85 -148.36 142.73 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' PHE . 11.3 t -37.57 144.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.546 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 9.8 t80 -174.94 137.54 0.57 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.698 0.761 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.3 Cg_endo -69.81 -17.88 11.89 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.329 0.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.69 135.91 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 t -175.26 159.64 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 63' ' ' THR . 83.5 m -91.39 78.54 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 111.176 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.4 tt -53.33 155.86 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.619 ' N ' HD23 ' A' ' 64' ' ' LEU . 22.8 tt0 -148.6 126.63 12.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.406 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 12.3 mt -130.31 111.89 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -95.58 152.14 18.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 61.89 43.59 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -42.73 165.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 73' ' ' ASP . 31.7 mtp85 -145.99 139.57 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.803 HD11 ' HG2' ' A' ' 98' ' ' GLU . 34.5 mm -39.51 -28.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.6 t -75.19 -41.18 58.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 70' ' ' ARG . 9.9 m-20 -38.09 -41.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 94' ' ' LEU . 88.3 m -38.78 128.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.34 -140.84 3.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 53.5 m -136.75 108.65 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.497 ' CD2' HD21 ' A' ' 28' ' ' LEU . 83.6 m-85 -83.68 135.87 34.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 90' ' ' TRP . 32.0 m -123.67 97.08 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.7 t -77.65 100.01 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.12 142.73 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.783 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -128.07 101.69 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.9 m -88.95 151.74 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.8 p -164.26 157.17 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -47.29 -32.57 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.7 m -73.27 -72.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.5 -148.92 4.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -164.45 140.02 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.5 t -136.36 148.24 47.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.4 p -125.66 145.9 49.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.41 ' O ' HG23 ' A' ' 78' ' ' THR . 12.2 t-105 -111.1 171.21 7.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.8 p -130.64 141.43 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' C ' HG23 ' A' ' 93' ' ' VAL . . . -155.1 -178.77 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.4 HG23 ' C ' ' A' ' 92' ' ' ALA . 78.2 t -156.4 121.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.675 HD12 HG23 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -104.72 115.55 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.466 ' N ' HD13 ' A' ' 94' ' ' LEU . 3.9 t70 -106.43 101.75 11.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.675 HG23 HD12 ' A' ' 94' ' ' LEU . 97.6 t -88.08 115.52 28.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.1 p -109.48 148.9 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.197 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.803 ' HG2' HD11 ' A' ' 71' ' ' ILE . 38.5 mm-40 -70.52 -45.74 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 p -118.03 42.32 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.484 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.733 0.222 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 14.3 mm -109.03 153.58 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.481 ' HB ' ' CZ3' ' A' ' 90' ' ' TRP . 41.5 mt -103.2 91.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.65 -54.98 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -127.57 91.92 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.08 -172.8 48.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 54.0 Cg_endo -69.73 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.44 149.55 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 1.3 p30 -60.11 110.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.518 ' NE2' HD13 ' A' ' 28' ' ' LEU . 6.5 pt20 -124.7 146.49 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.3 m -111.95 102.85 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.28 175.34 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.31 162.85 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 98' ' ' GLU . 14.6 p -81.54 144.47 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t0 64.52 45.23 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.81 -116.38 1.81 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -150.27 129.07 12.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.111 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -126.81 112.26 15.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.782 ' C ' HD22 ' A' ' 28' ' ' LEU . 2.5 mp -106.95 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.782 HD22 ' C ' ' A' ' 27' ' ' LEU . 2.0 mm? -122.05 113.27 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 9.1 mptt -83.27 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.75 111.81 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.65 121.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -121.55 158.33 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.28 138.78 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.38 146.45 4.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 4.9 t0 -120.68 122.6 28.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.83 166.22 74.8 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.33 0.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD12 ' HD2' ' A' ' 38' ' ' PRO . 13.9 tp -52.4 135.27 42.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 1.016 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.9 Cg_endo -69.75 159.72 52.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.0 t -99.74 91.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.451 HG21 ' HA3' ' A' ' 62' ' ' GLY . 33.1 mm -54.19 131.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.525 ' HB2' HG13 ' A' ' 80' ' ' VAL . 1.9 m -140.37 161.82 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.939 ' CG ' HD12 ' A' ' 64' ' ' LEU . 94.9 m95 -134.59 128.37 33.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -119.9 116.81 26.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -94.36 99.81 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 32.3 mt-10 62.12 46.76 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.38 47.27 89.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CD2' ' O ' ' A' ' 45' ' ' GLU . 68.6 m-85 -153.11 146.33 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.2 t -50.65 135.25 23.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 5.9 t80 -163.42 138.87 5.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.79 -42.96 0.67 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.329 0.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.71 169.99 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -169.67 169.73 8.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.449 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 9.9 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.451 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -81.53 109.77 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.939 HD12 ' CG ' ' A' ' 42' ' ' TRP . 3.2 tt -85.53 110.89 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -110.62 113.51 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 14.1 mt -103.51 129.14 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -111.77 145.18 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m120 69.91 45.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 26' ' ' ALA . 37.2 mt -51.39 159.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 58.1 mtp180 -139.44 157.97 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.8 mm -58.86 -16.67 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -89.92 -17.72 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -32.75 73.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -46.69 116.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.21 -115.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 92' ' ' ALA . 92.6 m -166.0 121.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 m-85 -94.33 148.89 21.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 90' ' ' TRP . 56.0 m -133.58 102.46 5.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.24 114.4 17.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.525 HG13 ' HB2' ' A' ' 41' ' ' SER . 1.1 p -123.49 132.39 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 1.016 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.55 100.17 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -85.34 154.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 84' ' ' SER . 23.0 p -173.57 147.68 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' SER . 1.3 t -37.77 -41.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -55.42 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.19 -132.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -173.32 148.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 14.5 t -151.69 159.99 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.8 p -138.21 162.93 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.559 ' O ' HG23 ' A' ' 78' ' ' THR . 8.0 t-105 -129.07 164.14 23.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -123.59 144.39 49.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 76' ' ' THR . . . -167.91 146.32 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.12 120.17 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.637 HD13 ' N ' ' A' ' 95' ' ' ASP . 1.6 tm? -99.0 118.76 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.637 ' N ' HD13 ' A' ' 94' ' ' LEU . 5.1 m-20 -104.22 114.89 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.628 HG23 HD12 ' A' ' 94' ' ' LEU . 69.4 t -103.22 120.35 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' VAL . 61.4 p -114.1 -178.48 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.485 ' HA ' HG12 ' A' ' 22' ' ' VAL . 51.6 mt-10 -95.96 -16.54 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.0 m -112.28 -53.83 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.474 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.759 0.233 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 16.3 mm -100.39 158.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 11' ' ' ILE . 65.4 mt -108.27 91.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -44.67 -43.61 8.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.75 112.95 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 -166.25 24.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.24 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.59 157.07 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -62.3 101.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -120.1 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -117.18 101.26 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -109.61 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.08 166.49 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.51 HG23 ' HA ' ' A' ' 70' ' ' ARG . 3.4 p -84.27 152.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 74.73 37.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.76 -123.33 2.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.579 HG22 ' CD2' ' A' ' 27' ' ' LEU . 23.9 m -160.83 124.07 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.24 106.13 16.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.579 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.5 mm? -95.53 97.51 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.854 ' O ' HG23 ' A' ' 63' ' ' THR . 8.0 mp -79.39 128.62 33.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -98.87 117.53 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 t -143.21 124.79 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -134.04 127.52 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.82 148.15 50.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -125.26 137.04 54.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.2 170.97 35.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 28.2 t70 -137.04 125.74 15.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.73 168.76 66.23 Favored 'Cis proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.38 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.503 HD13 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.64 121.12 14.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.941 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.3 Cg_endo -69.87 149.33 66.04 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -92.33 117.42 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.407 HG21 ' HA3' ' A' ' 62' ' ' GLY . 49.0 mm -74.33 108.14 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.471 ' O ' HG12 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -124.84 132.33 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.75 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 45.9 m95 -105.79 141.7 36.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 119.45 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -85.92 105.7 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.5 40.8 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.79 17.88 79.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -121.87 159.42 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -51.3 146.96 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 10.4 t80 -171.95 138.25 1.0 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.79 -41.0 0.98 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.331 -0.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.865 0.364 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.31 119.29 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 t -139.72 169.53 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 28' ' ' LEU . 90.1 m -57.58 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.507 HD12 ' CG ' ' A' ' 42' ' ' TRP . 6.9 tt -71.43 130.86 42.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -127.58 126.99 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.69 96.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -76.05 153.89 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 58.44 53.76 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.4 mt -49.88 169.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.51 ' HA ' HG23 ' A' ' 22' ' ' VAL . 12.5 mtp-105 -157.93 146.81 19.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.5 mm -51.19 -27.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -79.29 -24.17 43.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -66.27 -24.28 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.3 m -48.8 106.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.36 -165.88 13.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 92' ' ' ALA . 20.9 m -125.19 99.43 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 111.148 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.508 ' CZ ' HD21 ' A' ' 28' ' ' LEU . 1.4 p90 -80.58 166.36 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 90' ' ' TRP . 9.7 m -143.6 106.15 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 36.8 t -78.56 118.09 20.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 41' ' ' SER . 1.1 p -125.06 145.56 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.941 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.58 90.14 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -76.51 143.46 40.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -168.61 148.68 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.2 m -39.58 -42.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -58.17 -65.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.98 -143.72 3.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -172.5 114.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.941 0.4 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 15.4 t -114.78 153.04 31.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -133.48 155.04 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.546 ' O ' HG23 ' A' ' 78' ' ' THR . 10.5 t-105 -129.34 141.71 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -102.78 141.4 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 76' ' ' THR . . . -165.26 149.8 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -122.33 149.43 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.7 tp -127.51 111.16 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.17 118.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.24 114.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.42 ' O ' HG12 ' A' ' 22' ' ' VAL . 65.6 p -100.01 -175.6 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.81 -20.65 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 100' ' ' GLY . 9.3 t -121.82 -38.21 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.745 0.227 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.9 mt -124.35 140.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 11' ' ' ILE . 94.1 mt -89.76 85.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -48.7 -58.26 5.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -125.78 82.76 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' HG21 ' A' ' 11' ' ' ILE . . . -81.81 -171.41 45.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.75 160.3 39.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 2.1 p30 -68.98 108.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.498 HE21 HD23 ' A' ' 28' ' ' LEU . 10.3 pt20 -122.24 150.57 42.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -119.84 95.97 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 20.3 mt -97.88 176.25 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.53 140.49 37.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 23' ' ' ASP . 2.4 p -46.34 156.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.482 ' N ' HG22 ' A' ' 22' ' ' VAL . 63.7 m-20 62.33 36.97 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.14 -127.13 3.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 m -163.6 119.3 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -89.9 113.33 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.27 80.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.498 HD23 HE21 ' A' ' 18' ' ' GLN . 10.6 mt -89.23 102.5 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HG3' HG23 ' A' ' 63' ' ' THR . 18.9 mttt -85.55 138.95 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.8 t -134.6 84.33 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 11' ' ' ILE . 25.9 tttt -81.05 138.06 36.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.19 148.87 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -122.18 147.27 46.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.75 169.7 27.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 5.1 p-10 -141.6 121.98 8.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.598 0.713 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.5 Cg_endo -69.81 171.07 55.65 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.317 0.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.72 128.86 35.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.75 148.05 64.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -89.87 99.66 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.03 138.78 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -142.18 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CD2' HD12 ' A' ' 64' ' ' LEU . 98.1 m95 -153.89 135.54 14.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.3 mt -128.57 112.59 14.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -86.83 105.92 17.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 53.33 42.79 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.69 39.7 59.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -145.79 157.1 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 t -55.72 142.47 34.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 24.0 t80 -174.97 137.93 0.58 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.3 Cg_endo -69.68 -3.2 7.45 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.38 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -70.59 140.95 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -156.82 165.41 36.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.474 HD11 ' CD ' ' A' ' 50' ' ' PRO . 20.1 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.416 HG23 ' HG3' ' A' ' 29' ' ' LYS . 4.9 m -89.72 94.44 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -61.93 94.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -99.23 120.37 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 mt -120.02 113.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -90.31 156.4 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 61.91 47.51 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 73' ' ' ASP . 37.2 mtp180 -145.92 140.11 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.6 mm -38.49 -27.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' ARG . 8.3 t -74.32 -43.76 55.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ARG . 1.9 m-20 -36.14 -36.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' ASP . 92.7 m -35.44 133.56 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.58 175.18 39.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 92' ' ' ALA . 43.9 m -98.39 110.97 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.135 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -85.39 148.5 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 91.1 m -139.23 105.28 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 46.6 t -83.76 116.85 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -108.18 123.09 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -110.39 100.01 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.3 m -93.9 151.26 19.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.4 p -174.93 153.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 t -45.67 -30.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.7 m -65.22 -55.23 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.97 -130.1 1.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -174.69 141.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 t -142.82 169.4 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.5 p -150.43 145.36 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -110.88 175.16 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.5 p -132.82 125.93 31.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 76' ' ' THR . . . -146.36 159.9 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.6 t -141.61 112.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.661 ' CD1' HG23 ' A' ' 96' ' ' VAL . 3.3 tm? -92.56 121.65 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.456 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -113.1 110.11 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.661 HG23 ' CD1' ' A' ' 94' ' ' LEU . 49.1 t -97.42 117.94 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.8 p -117.35 161.36 19.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.452 ' HA ' HG12 ' A' ' 22' ' ' VAL . 8.8 mm-40 -72.04 -39.77 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLY . 58.4 m -129.81 58.84 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.816 0.257 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mt -90.63 131.19 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 11' ' ' ILE . 63.5 mt -87.11 89.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' ILE . 19.6 mt -35.23 -42.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -169.27 107.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.79 -158.09 30.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.29 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.2 169.58 17.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -79.36 106.58 11.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -128.63 140.23 51.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -102.47 103.31 13.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 HD11 ' A' ' 94' ' ' LEU . 41.8 mt -106.4 -178.76 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.42 168.61 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.551 HG22 ' N ' ' A' ' 23' ' ' ASP . 10.2 p -91.25 164.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.551 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER 56.34 31.73 19.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.69 -135.92 4.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 m -138.51 123.28 18.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.38 119.02 38.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mt -111.21 118.25 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -110.86 131.91 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 134.17 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -147.49 111.58 5.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.2 mttp -112.5 157.29 21.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.12 139.99 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -120.1 132.58 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.35 177.89 42.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.535 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.9 t70 -142.99 123.82 8.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.578 0.704 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.81 -179.81 20.3 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 0.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -62.16 123.44 78.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.64 0.733 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.66 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.3 Cg_endo -69.7 142.25 47.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.7 t -85.89 109.58 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.473 HG23 ' SG ' ' A' ' 79' ' ' CYS . 47.1 mm -66.51 120.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -123.73 -176.42 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.802 ' CG ' HD12 ' A' ' 64' ' ' LEU . 91.1 m95 -152.92 136.23 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.06 113.61 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 33.4 tttp -83.64 100.41 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 60.1 45.45 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.69 79.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -154.6 155.05 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -50.88 139.39 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 45.1 t80 -172.31 138.76 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.75 -48.66 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.73 161.47 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -167.74 163.24 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 179.906 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.5 m -48.52 111.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.172 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.802 HD12 ' CG ' ' A' ' 42' ' ' TRP . 2.1 tt -79.17 113.74 17.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -110.8 116.58 31.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.462 HG13 HD22 ' A' ' 64' ' ' LEU . 38.8 mt -114.65 124.86 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -102.47 158.6 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 55.81 51.04 12.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -52.01 169.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 73' ' ' ASP . 23.1 mtm180 -155.06 140.85 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.5 mm -42.48 -23.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.3 t -79.89 -38.93 31.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 70' ' ' ARG . 16.6 m-20 -42.88 -35.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 94' ' ' LEU . 95.4 m -42.65 115.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.64 -167.85 25.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.8 m -106.86 103.2 12.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.46 115.21 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.8 HG23 ' O ' ' A' ' 90' ' ' TRP . 31.3 m -107.79 108.36 19.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' A' ' 40' ' ' ILE . 6.1 t -78.01 113.69 16.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 88' ' ' THR . 86.7 t -109.15 131.31 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -114.76 99.47 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -87.56 144.79 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 84' ' ' SER . 73.6 p -167.46 146.25 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' SER . 19.8 m -35.57 -44.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -52.45 -60.43 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.23 -128.64 0.98 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -174.77 142.41 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 80' ' ' VAL . 11.1 t -141.01 170.86 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.8 p -150.92 159.17 44.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.8 ' O ' HG23 ' A' ' 78' ' ' THR . 15.6 t-105 -124.71 -177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.0 p -137.73 134.58 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -154.62 153.1 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -132.16 108.11 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.582 HD11 HD12 ' A' ' 20' ' ' LEU . 23.4 tp -89.65 117.82 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.74 101.67 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -92.06 125.85 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 p -117.88 -175.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.502 ' HA ' HG12 ' A' ' 22' ' ' VAL . 41.9 mt-10 -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.9 m -118.22 39.19 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.546 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 CA-C-O 120.77 0.237 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 mp -110.69 141.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -94.53 92.27 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.458 HD11 ' HB ' ' A' ' 33' ' ' THR . 35.4 mt -49.82 -60.3 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -132.26 102.8 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.0 -164.46 35.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.471 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.8 175.39 8.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.52 154.12 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -67.79 102.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.41 ' NE2' HD13 ' A' ' 28' ' ' LEU . 15.1 pt20 -117.06 137.22 52.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.2 m -111.24 101.39 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 mt -106.98 177.74 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.2 147.21 24.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.616 HG23 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -59.84 158.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' N ' HG22 ' A' ' 22' ' ' VAL . 1.0 OUTLIER 63.33 40.53 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.66 -127.3 2.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.672 HG22 ' CD2' ' A' ' 27' ' ' LEU . 28.0 m -149.44 136.07 19.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.327 . . . . 0.0 111.159 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.21 112.21 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.6 mm? -107.63 115.15 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -97.75 115.35 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 125.52 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.4 145.16 30.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -158.96 124.48 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.51 134.26 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.458 ' HB ' HD11 ' A' ' 12' ' ' LEU . 14.6 t -108.82 150.75 27.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.67 -170.25 34.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.45 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 9.9 t70 -156.54 124.27 2.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.8 159.87 89.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD22 ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -47.86 121.79 8.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.674 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.6 Cg_endo -69.81 140.16 41.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.54 111.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.588 HG21 ' HA2' ' A' ' 62' ' ' GLY . 24.2 mm -65.35 145.58 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -154.27 160.0 41.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.751 ' CD1' HD12 ' A' ' 64' ' ' LEU . 94.6 m95 -131.42 126.56 35.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.5 mt -117.69 116.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -87.31 103.82 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 55.23 40.01 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.25 47.58 12.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -157.24 151.09 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 t -45.46 140.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 36.5 t80 -169.71 137.96 1.51 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.74 -36.98 2.14 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.329 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -88.79 133.61 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -163.2 160.15 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.588 ' HA2' HG21 ' A' ' 40' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.7 m -71.74 87.43 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.751 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.7 tt -65.63 149.85 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.564 ' N ' HD23 ' A' ' 64' ' ' LEU . 33.0 tt0 -138.07 136.09 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 mt -136.04 110.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -95.31 159.84 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 56.89 44.79 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -48.19 162.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.616 ' HA ' HG23 ' A' ' 22' ' ' VAL . 10.4 ptm180 -156.81 143.68 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' ARG . 48.5 mm -34.67 -35.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ARG . 47.1 t -61.48 -50.6 72.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ARG . 15.5 m-20 -38.07 -43.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' ASP . 95.7 m -35.28 97.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -153.13 176.79 31.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.8 m -98.76 116.49 31.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.168 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 65.6 m-85 -92.88 152.42 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.0 m -138.13 110.69 7.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.68 101.16 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.67 134.27 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.674 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -125.56 95.77 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -84.91 155.97 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 p -172.26 148.95 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' SER . 2.0 m -34.98 -44.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.9 m -58.31 -62.83 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.9 -146.65 4.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -150.76 140.87 22.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 t -135.91 157.0 47.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.3 p -142.14 163.05 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -132.63 165.69 23.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.9 p -118.47 138.46 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -166.38 165.0 17.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.2 t -150.2 146.47 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 tp -118.83 95.58 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.75 110.64 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.15 122.59 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 p -115.65 157.02 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.42 -39.96 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.6 t -114.46 43.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 87' ' ' GLU . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.751 0.23 . . . . 0.0 112.4 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.75 138.56 25.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.8 mt -93.85 86.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' ILE . 48.6 mt -35.45 -38.9 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -167.21 107.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.25 -162.75 37.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.69 ' HB3' HD12 ' A' ' 28' ' ' LEU . 53.5 Cg_endo -69.81 177.34 5.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.54 143.71 18.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -52.36 114.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -127.22 147.73 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -119.81 103.11 9.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.4 mt -109.61 -176.35 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.7 155.4 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' HA ' ' A' ' 70' ' ' ARG . 7.5 p -68.9 148.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.84 50.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.01 -128.43 2.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.423 HG22 HD12 ' A' ' 27' ' ' LEU . 8.4 m -147.52 131.32 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.142 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -124.98 113.63 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.49 ' O ' HD22 ' A' ' 28' ' ' LEU . 2.8 mp -107.74 143.44 36.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.989 HD11 ' CE1' ' A' ' 77' ' ' TYR . 2.1 mm? -119.05 107.27 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -77.28 133.68 38.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.07 131.84 12.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -143.85 127.0 16.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.78 147.87 46.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -115.38 149.45 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.73 166.0 19.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.457 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.6 t70 -139.31 122.78 10.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.75 165.15 77.36 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.335 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.7 131.43 27.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.962 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.6 Cg_endo -69.8 153.15 69.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.42 90.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 81' ' ' ALA . 15.1 mm -62.05 110.19 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.1 m -124.96 173.59 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 67.9 m95 -138.35 135.22 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -120.06 107.89 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -84.31 102.96 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 61.54 34.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.9 44.85 29.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -155.79 146.6 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -42.9 132.33 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.169 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.551 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 58.6 t80 -166.52 139.74 3.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.74 -45.49 0.42 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.318 -0.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -111.01 139.66 46.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -146.81 159.83 43.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.5 HG23 ' C ' ' A' ' 63' ' ' THR . 5.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.5 ' C ' HG23 ' A' ' 58' ' ' ILE . 98.0 m -86.54 100.37 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD21 ' HE1' ' A' ' 49' ' ' PHE . 4.3 tp -75.9 137.32 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -133.28 138.48 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.5 mt -133.04 124.15 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -105.21 162.24 13.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.66 44.66 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 26' ' ' ALA . 30.7 mt -48.68 165.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.633 ' HA ' HG23 ' A' ' 22' ' ' VAL . 18.6 ptt180 -157.1 138.84 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 28.4 mm -35.65 -31.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.0 t -68.79 -46.76 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ARG . 44.2 m-20 -42.69 -36.11 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -37.44 101.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.11 -175.73 22.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.927 HG23 ' O ' ' A' ' 92' ' ' ALA . 97.8 m -111.86 104.92 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.989 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -87.51 142.66 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.914 HG23 ' O ' ' A' ' 90' ' ' TRP . 73.1 m -125.98 112.37 15.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 22.7 t -84.42 99.76 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.3 137.82 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.962 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -123.57 93.55 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -82.6 154.38 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -168.73 148.29 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -40.44 -37.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 m -64.66 -68.54 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.818 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.35 -143.96 3.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.5 tm-20 -167.63 147.03 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.7 t -148.48 148.47 30.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.8 p -135.95 141.98 44.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.914 ' O ' HG23 ' A' ' 78' ' ' THR . 16.0 t-105 -107.98 169.68 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.1 m -129.3 145.78 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.927 ' O ' HG23 ' A' ' 76' ' ' THR . . . -174.76 171.87 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.67 143.67 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tp -115.15 115.98 27.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.0 106.59 18.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -92.37 118.56 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.9 p -111.5 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.436 ' HA ' HG12 ' A' ' 22' ' ' VAL . 37.7 mt-10 -92.45 -26.72 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -126.08 26.78 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.774 0.239 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -101.48 144.59 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.433 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 33.3 mt -95.79 93.21 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.6 mt -47.26 -50.8 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -133.6 90.94 2.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.97 -171.96 47.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.5 Cg_endo -69.79 151.4 68.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.92 171.88 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -82.2 105.83 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' NE2' HD13 ' A' ' 28' ' ' LEU . 14.5 pt20 -120.25 143.18 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -113.2 97.85 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.4 mt -101.27 -175.24 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.93 130.37 56.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.531 HG22 ' N ' ' A' ' 23' ' ' ASP . 7.3 p -40.63 160.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.531 ' N ' HG22 ' A' ' 22' ' ' VAL . 21.0 t70 60.14 37.14 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.44 -136.04 4.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.434 HG22 ' CD2' ' A' ' 27' ' ' LEU . 17.4 m -148.9 117.07 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 111.162 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' C ' HD22 ' A' ' 27' ' ' LEU . . . -101.44 122.58 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 ' C ' ' A' ' 26' ' ' ALA . 3.3 mm? -109.66 108.55 18.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 3.0 mm? -94.65 106.42 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -79.95 122.69 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.9 t -144.29 115.16 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -128.54 133.04 48.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.02 140.27 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 t -109.21 149.48 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.65 153.89 6.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.451 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.1 m-20 -126.34 122.01 23.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.78 158.41 91.11 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.349 0.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.744 HD12 ' HD2' ' A' ' 38' ' ' PRO . 4.3 tp -53.9 138.6 54.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD2' HD12 ' A' ' 37' ' ' LEU . 53.7 Cg_endo -69.74 163.78 36.97 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 39' ' ' VAL . 71.7 t -101.44 82.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -43.08 135.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.151 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -146.14 176.4 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.692 ' CG ' HD12 ' A' ' 64' ' ' LEU . 98.6 m95 -143.54 130.85 20.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -120.13 119.07 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 42.8 tttt -91.73 107.37 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 51.31 40.9 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.26 33.84 52.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -140.5 153.61 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.968 0.413 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 t -51.67 141.64 16.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 21.9 t80 -169.82 137.93 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.743 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.83 -32.78 3.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 -1.814 . . . . 0.0 112.325 0.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 160.76 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.5 t -173.52 160.16 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.437 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 5.1 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 m -109.67 107.25 17.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.692 HD12 ' CG ' ' A' ' 42' ' ' TRP . 0.6 OUTLIER -77.82 108.7 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -108.8 122.61 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.13 124.1 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -101.51 157.49 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 57.78 49.6 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -52.79 164.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.529 ' HA ' HG23 ' A' ' 22' ' ' VAL . 59.1 mtp180 -150.53 151.65 32.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 mm -50.41 -30.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.8 t -69.17 -40.8 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' THR . 9.0 m-20 -46.55 -38.7 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASP . 87.6 m -36.19 127.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.515 ' O ' HG13 ' A' ' 93' ' ' VAL . . . 178.28 -152.39 11.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 92' ' ' ALA . 83.2 m -127.86 119.49 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.177 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -96.64 129.36 44.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.0 m -117.69 102.57 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.18 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 88' ' ' THR . 21.6 t -113.93 122.79 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -109.06 94.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' CB ' ' A' ' 87' ' ' GLU . 25.7 m -84.92 152.12 23.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.3 p -168.19 175.93 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 t -65.28 -31.77 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -86.54 10.82 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.73 -170.7 13.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -138.82 172.36 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.74 ' O ' HG13 ' A' ' 80' ' ' VAL . 15.4 t -146.42 -179.01 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.0 p -154.46 154.81 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.6 t-105 -128.67 171.27 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.2 p -126.16 137.36 53.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 76' ' ' THR . . . -169.59 150.58 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 75' ' ' GLY . 88.7 t -133.61 130.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -104.34 95.79 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.11 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -96.02 112.56 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.4 p -108.35 167.24 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.37 -49.16 9.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.1 m -101.69 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.758 0.233 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -112.48 127.09 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 11' ' ' ILE . 97.3 mt -81.65 84.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.84 -54.79 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -130.0 94.23 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.03 -172.85 43.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.4 Cg_endo -69.73 -177.87 2.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.64 167.21 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.548 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -72.64 109.72 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' NE2' ' CD2' ' A' ' 28' ' ' LEU . 11.1 pt20 -126.34 140.44 52.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -104.91 94.8 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 94' ' ' LEU . 44.4 mt -102.46 -177.83 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.39 167.18 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -87.95 151.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t0 66.42 48.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.18 -127.19 2.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 HD22 ' A' ' 27' ' ' LEU . 4.8 m -151.5 110.68 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.148 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.28 101.43 13.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD22 HG22 ' A' ' 25' ' ' THR . 4.0 mm? -87.35 104.8 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.552 ' CD2' ' NE2' ' A' ' 18' ' ' GLN . 45.9 mt -91.2 122.43 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.97 128.02 34.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.9 t -153.71 109.41 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -128.11 133.9 49.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.42 150.01 52.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -116.21 148.53 40.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.48 142.4 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -112.57 122.6 35.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.78 169.78 61.75 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.313 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.92 133.83 92.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.746 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.78 152.02 69.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -90.36 96.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.507 HG21 ' HA3' ' A' ' 62' ' ' GLY . 38.1 mm -57.15 114.37 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -117.89 -176.08 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CD2' HD12 ' A' ' 64' ' ' LEU . 97.1 m95 -155.27 129.6 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.95 116.75 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -90.49 107.73 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 50.58 45.15 27.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.73 38.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -158.86 145.64 17.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -43.52 137.32 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' ' 64' ' ' LEU . 32.5 t80 -165.13 138.04 3.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.8 -35.76 2.58 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.352 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.767 0.318 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -78.83 151.97 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 t -173.84 156.82 2.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.452 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 45.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.507 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -86.66 116.1 24.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.572 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -83.73 113.7 21.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -113.71 110.41 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.567 HG13 HD22 ' A' ' 64' ' ' LEU . 12.7 mt -110.38 113.37 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -93.0 159.74 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 61.55 43.93 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.83 145.9 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -134.14 148.26 50.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.407 HD11 ' HG2' ' A' ' 98' ' ' GLU . 37.7 mm -46.37 -21.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -79.04 -38.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -39.54 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.88 -177.36 29.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 92' ' ' ALA . 20.7 m -96.74 110.09 22.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 111.148 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -89.51 116.97 28.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 90' ' ' TRP . 27.3 m -106.87 113.58 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.15 114.74 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.93 135.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.746 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -117.94 95.48 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -84.6 147.19 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 p -171.95 148.75 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 m -42.81 -38.63 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.1 p -61.31 -56.65 18.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.93 -146.06 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.29 131.91 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 t -131.61 161.9 31.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.6 p -142.86 148.71 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.66 ' O ' HG23 ' A' ' 78' ' ' THR . 11.8 t-105 -114.73 165.83 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m -122.52 140.8 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 76' ' ' THR . . . -170.4 161.85 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 93' ' ' VAL . 12.8 p -145.97 122.1 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.445 HD11 HD12 ' A' ' 20' ' ' LEU . 6.7 tp -92.34 126.45 37.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.57 91.6 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.3 t -80.36 122.13 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.7 p -114.28 164.12 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG2' HD11 ' A' ' 71' ' ' ILE . 24.8 mt-10 -75.18 -32.06 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' GLY . 3.3 m -99.99 -54.43 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.761 0.234 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -135.19 124.27 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.21 95.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.89 -41.58 46.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -153.05 106.22 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.1 -171.19 44.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.2 Cg_endo -69.81 -173.27 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.276 . . . . 0.0 112.359 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.4 161.6 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -66.46 105.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.71 138.82 52.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 m -104.5 94.92 5.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.068 HD12 HD11 ' A' ' 94' ' ' LEU . 41.2 mt -94.38 -178.37 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -122.42 131.74 54.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 96' ' ' VAL . 52.6 t -33.73 143.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 60.61 48.95 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.5 -127.04 3.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.509 HG22 HD21 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -156.16 113.6 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.13 105.25 17.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.509 HD21 HG22 ' A' ' 25' ' ' THR . 3.6 mm? -104.64 87.39 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.66 114.53 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.37 147.65 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 t -161.87 110.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -121.38 128.16 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.39 135.01 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -109.34 139.99 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.8 174.0 38.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 12.9 t70 -142.92 122.32 7.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.69 169.11 64.66 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.356 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.86 130.6 66.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.938 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.73 151.25 69.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.4 t -98.06 87.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.41 HG23 ' SG ' ' A' ' 79' ' ' CYS . 36.8 mm -47.37 132.03 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -147.35 138.76 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.455 ' CZ3' ' HB2' ' A' ' 79' ' ' CYS . 57.0 m95 -108.98 139.23 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 mt -126.08 118.08 24.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -85.81 99.01 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.59 34.33 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 46.91 6.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -154.64 146.6 23.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -51.92 136.72 28.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.551 ' HE1' HD11 ' A' ' 64' ' ' LEU . 9.7 t80 -165.95 139.7 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.77 -44.26 0.53 Allowed 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.321 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.01 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.2 t -134.31 158.78 42.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 m -85.34 94.79 9.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.14 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.651 HD21 HD11 ' A' ' 66' ' ' ILE . 4.4 tp -69.76 111.85 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -111.97 117.73 33.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.651 HD11 HD21 ' A' ' 64' ' ' LEU . 18.6 mt -117.72 118.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -95.47 159.83 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 57.29 45.91 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -52.3 158.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 25.5 mtt180 -145.51 142.94 29.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.552 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 47.2 mm -38.83 -37.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 t -63.72 -42.66 97.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.7 m-20 -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.4 m -49.3 132.05 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.95 -161.69 27.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.6 m -116.82 93.44 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 147.4 50.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 90' ' ' TRP . 34.9 m -133.94 100.96 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 16.3 t -82.13 101.62 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.87 142.23 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -120.85 99.48 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -83.68 149.28 26.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.9 t -173.01 140.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' SER . 30.3 t -36.78 -40.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -60.58 -65.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.04 -148.03 4.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -165.25 144.66 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.957 0.408 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 t -146.92 136.09 22.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 p -117.72 156.95 27.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.54 ' O ' HG23 ' A' ' 78' ' ' THR . 13.7 t-105 -120.45 175.95 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.8 p -136.96 131.39 32.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.57 179.76 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 94' ' ' LEU . 91.1 t -149.92 152.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.068 HD11 HD12 ' A' ' 20' ' ' LEU . 49.4 tp -128.49 95.86 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.13 106.0 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.6 HG12 HG23 ' A' ' 22' ' ' VAL . 98.0 t -95.89 131.61 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.415 ' OG1' ' CA ' ' A' ' 100' ' ' GLY . 64.4 p -117.75 128.5 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.03 -46.2 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -129.81 54.09 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.415 ' CA ' ' OG1' ' A' ' 97' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.708 0.212 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -118.31 139.49 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -93.62 88.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -38.89 -44.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -152.77 106.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.64 -164.94 35.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -172.5 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.78 159.57 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -62.0 105.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -115.58 149.44 38.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -116.75 98.91 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.439 HD12 HD11 ' A' ' 94' ' ' LEU . 26.7 mt -104.41 178.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -119.88 132.23 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.753 HG23 HG12 ' A' ' 96' ' ' VAL . 3.2 t -35.3 153.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 79.8 m-20 58.22 40.23 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.55 -132.29 4.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -155.72 117.03 3.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.09 116.25 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -110.8 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.613 HD21 ' CD2' ' A' ' 77' ' ' TYR . 6.2 mp -77.72 122.86 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -96.98 132.57 42.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 t -156.6 112.56 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -126.66 127.23 44.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.97 152.45 42.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -125.26 156.44 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.56 162.97 11.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.43 118.45 21.59 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.05 38.26 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.349 0.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 38' ' ' PRO . 1.6 tt -69.12 135.2 89.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.3 Cg_endo -69.8 152.76 69.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 39' ' ' VAL . 99.1 t -96.47 80.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' VAL . 44.4 mm -37.06 147.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -161.78 161.24 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.815 ' CG ' HD12 ' A' ' 64' ' ' LEU . 83.4 m95 -131.23 132.74 44.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.5 mt -120.91 128.98 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -99.03 97.9 8.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 61.78 40.02 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.6 40.66 31.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -148.69 153.74 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -55.86 135.77 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 74.8 t80 -167.46 137.28 2.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.572 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.76 -21.94 9.92 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.5 t -163.9 175.91 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -93.13 97.7 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.815 HD12 ' CG ' ' A' ' 42' ' ' TRP . 2.9 tt -67.76 117.05 9.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -117.7 117.89 30.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.477 HD11 HD22 ' A' ' 64' ' ' LEU . 6.5 mt -119.13 127.84 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -105.58 157.5 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 65.67 38.32 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.1 mt -39.47 153.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 73' ' ' ASP . 17.1 mtp85 -144.75 141.15 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.794 HD11 ' HG3' ' A' ' 98' ' ' GLU . 33.8 mm -39.44 -36.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.5 m -65.4 -42.98 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' ARG . 4.1 m-20 -43.5 -35.38 1.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 94' ' ' LEU . 93.8 m -47.37 109.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.94 -167.78 18.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 92' ' ' ALA . 92.8 m -105.11 96.01 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.613 ' CD2' HD21 ' A' ' 28' ' ' LEU . 67.2 m-85 -68.49 141.19 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 84.8 m -134.1 110.38 9.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -87.05 111.47 20.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.13 128.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -120.31 92.26 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -82.05 145.12 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.2 p -160.45 151.02 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.1 m -38.4 -37.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 p -65.09 -64.72 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.3 -148.88 5.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -150.95 135.33 16.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 t -132.11 141.93 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -126.08 147.98 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 13.1 t-105 -109.28 177.94 4.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.9 p -135.7 134.84 39.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' THR . . . -163.51 -179.68 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.53 146.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 74' ' ' THR . 10.7 tp -114.68 124.46 51.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.79 94.63 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.753 HG12 HG23 ' A' ' 22' ' ' VAL . 92.1 t -90.46 122.19 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.9 p -118.3 127.53 53.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.794 ' HG3' HD11 ' A' ' 71' ' ' ILE . 50.7 mt-10 -48.39 -36.23 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.3 t -123.35 56.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.502 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.781 0.242 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.8 mt -132.61 135.86 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.42 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 38.1 mt -90.9 88.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.88 -58.74 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -125.69 89.25 3.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.84 -159.65 24.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.2 Cg_endo -69.81 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 152.77 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -70.89 105.22 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -116.18 142.19 47.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -107.72 95.32 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 94' ' ' LEU . 14.4 mt -99.63 -175.77 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.52 136.16 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.62 148.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t70 69.46 36.77 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.35 -139.19 5.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.744 HG23 ' CD ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -146.95 120.1 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.09 112.87 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 103.01 12.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD13 HD22 ' A' ' 64' ' ' LEU . 5.1 mp -94.49 104.82 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -83.19 141.57 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 t -155.17 106.72 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -109.19 119.54 39.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 40' ' ' ILE . . . -123.26 139.51 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -117.54 143.42 46.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.23 -173.27 41.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.5 p-10 -156.96 127.15 3.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.74 154.02 93.09 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -35.54 119.26 0.64 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.962 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.82 143.21 49.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.343 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.78 110.37 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.521 HG23 ' SG ' ' A' ' 79' ' ' CYS . 26.1 mm -69.98 133.59 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 m -139.76 138.63 36.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.654 ' CD1' HD12 ' A' ' 64' ' ' LEU . 66.4 m95 -110.93 124.46 52.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.7 mt -111.94 122.19 47.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -91.15 103.0 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 57.45 40.26 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.06 49.56 21.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -159.84 149.9 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.412 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.6 t -47.71 140.04 6.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 56.8 t80 -172.12 139.87 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.75 -37.29 2.03 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.332 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' NH2' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.63 147.03 26.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.1 t -153.87 167.28 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 88.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 42' ' ' TRP . 4.8 tt -72.48 145.65 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.506 ' N ' HD23 ' A' ' 64' ' ' LEU . 46.2 tt0 -134.93 131.68 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.437 HG13 ' CD2' ' A' ' 64' ' ' LEU . 9.9 mt -136.62 121.9 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.744 ' CD ' HG23 ' A' ' 25' ' ' THR . 2.2 mmmm -104.97 -176.77 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 41.58 34.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.77 165.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -147.01 153.24 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.1 mm -52.27 -16.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.0 t -85.18 -45.22 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -41.11 -35.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.6 m -40.15 100.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.86 -174.05 17.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.524 ' O ' HG22 ' A' ' 76' ' ' THR . 5.6 m -111.69 92.72 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -67.35 166.41 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.1 m -145.69 107.27 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.521 ' SG ' HG23 ' A' ' 40' ' ' ILE . 6.0 t -84.97 103.73 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.5 134.76 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.962 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -115.36 111.65 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -98.67 145.9 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 p -160.39 -178.63 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -73.1 -20.11 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.7 m -80.51 -54.33 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.47 -135.2 1.86 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -168.28 149.32 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.4 t -148.87 130.04 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.3 p -107.86 162.38 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.476 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 10.5 t-105 -130.18 176.59 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -129.91 142.85 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.84 151.97 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -141.07 133.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 20' ' ' LEU . 33.8 tp -103.98 106.64 17.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -89.73 103.6 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.2 t -100.03 118.74 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -117.34 166.7 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -73.44 -35.36 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -117.27 38.69 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.563 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -99.11 108.76 21.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -85.65 93.29 8.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.9 56.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 m -122.59 169.75 10.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.389 . . . . 0.0 110.858 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -130.57 118.03 20.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.82 -162.18 33.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' O ' HD12 ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.76 167.05 25.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.359 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 131.15 20.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.662 2.242 . . . . 0.0 112.359 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 8' ' ' PRO . 5.3 mp -110.24 142.55 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 11' ' ' ILE . 74.9 mt -99.87 87.74 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -39.77 -45.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -151.51 117.42 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.6 -170.95 21.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 156.74 62.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.8 168.22 17.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -73.38 102.63 3.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' NE2' HD13 ' A' ' 28' ' ' LEU . 14.2 pt20 -117.81 138.53 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.6 m -106.09 94.19 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.616 HD12 HD11 ' A' ' 94' ' ' LEU . 68.8 mt -94.67 172.84 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.27 130.93 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 70' ' ' ARG . 5.4 p -41.79 151.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' CG ' HG22 ' A' ' 22' ' ' VAL . 5.1 m-20 71.27 30.88 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.9 -158.76 10.05 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.528 HG22 ' CD2' ' A' ' 27' ' ' LEU . 9.4 m -121.8 120.54 34.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.648 ' C ' HD22 ' A' ' 27' ' ' LEU . . . -97.93 125.08 42.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.648 HD22 ' C ' ' A' ' 26' ' ' ALA . 3.4 mm? -119.67 106.28 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mm? -99.44 102.96 14.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.32 139.16 45.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -155.12 112.18 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -122.86 123.41 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.75 143.91 49.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -115.98 150.53 37.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -175.6 166.55 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 36' ' ' PRO . 37.2 t0 -134.98 93.13 17.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.3 Cg_endo -69.69 -177.64 14.87 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.65 147.12 86.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.828 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.84 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.61 102.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 79' ' ' CYS . 42.0 mm -58.85 139.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.4 m -156.17 140.03 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.714 ' CG ' HD12 ' A' ' 64' ' ' LEU . 84.8 m95 -111.14 123.61 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.77 119.7 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -93.27 102.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 59.05 31.37 21.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.14 41.0 9.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.19 146.12 28.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.962 0.41 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -52.58 130.79 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 35.5 t80 -164.19 140.55 5.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.81 -33.79 3.3 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.323 0.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.94 -81.43 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.552 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -121.92 77.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -147.62 123.97 5.49 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.617 0.723 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -47.98 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -62.8 -45.76 91.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.47 144.78 33.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -165.31 169.94 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.6 mt -129.3 137.77 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -89.27 169.09 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.72 -27.68 12.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' GLY . 28.8 mt-30 -96.19 45.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 35.42 47.3 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.7 m -104.11 107.73 18.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.714 HD12 ' CG ' ' A' ' 42' ' ' TRP . 1.3 tt -78.24 110.9 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -112.53 121.24 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 mt -124.15 123.4 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -101.31 156.64 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.0 45.42 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 26' ' ' ALA . 36.2 mt -45.72 171.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.594 ' HA ' HG23 ' A' ' 22' ' ' VAL . 58.3 mtt180 -152.92 143.6 22.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.532 HD13 HG12 ' A' ' 96' ' ' VAL . 29.1 mm -52.62 -20.83 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -84.42 -29.18 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -55.24 -35.7 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.5 m -38.77 116.12 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.27 -169.19 24.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 m -102.9 111.24 23.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -90.92 137.67 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.4 m -132.62 104.48 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' A' ' 40' ' ' ILE . 9.0 t -80.93 96.73 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 t -87.45 133.28 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.828 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -127.87 81.65 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.0 m -82.0 133.77 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 85' ' ' SER . 60.5 p -135.63 150.82 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -37.41 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 83' ' ' SER . 3.1 m -69.1 -73.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 -139.74 3.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 87' ' ' GLU . 1.2 tm-20 -153.68 150.02 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -154.7 162.68 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.59 153.91 29.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -109.11 175.28 5.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.9 p -136.64 127.38 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.73 146.27 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -123.38 130.66 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.616 HD11 HD12 ' A' ' 20' ' ' LEU . 12.5 tp -99.96 97.66 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.35 111.21 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.532 HG12 HD13 ' A' ' 71' ' ' ILE . 91.9 t -98.51 119.12 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.4 p -115.05 163.86 15.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.482 ' HA ' HG12 ' A' ' 22' ' ' VAL . 35.5 mt-10 -81.39 -41.17 22.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.1 p -119.78 41.59 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -164.07 142.04 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.1 p -110.14 140.71 43.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.41 -162.49 24.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -151.37 113.65 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -163.42 175.31 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 -179.45 41.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.73 26.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 125.55 12.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.308 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mt -113.15 135.24 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.516 HG13 HG21 ' A' ' 88' ' ' THR . 84.9 mt -94.24 94.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -46.33 -47.81 18.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -148.33 116.14 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.07 -169.07 29.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.74 166.2 28.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.85 158.3 43.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -63.53 109.31 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' HD12 ' A' ' 94' ' ' LEU . 8.5 pt20 -124.84 142.81 51.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.8 m -109.66 100.18 9.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.711 HD12 HD11 ' A' ' 94' ' ' LEU . 5.8 mt -106.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.63 146.07 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 23' ' ' ASP . 14.8 p -60.61 154.56 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 22' ' ' VAL . 15.2 t0 71.04 29.65 2.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.73 -137.47 4.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.456 HG22 ' CD2' ' A' ' 27' ' ' LEU . 15.1 m -143.14 127.05 17.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.03 116.32 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' CD2' HG22 ' A' ' 25' ' ' THR . 1.5 mm? -110.47 93.25 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 77' ' ' TYR . 6.2 mp -84.5 103.15 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 134.04 50.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 t -156.43 114.28 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -124.25 135.08 53.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -146.21 145.87 30.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 t -114.82 150.2 35.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . -172.88 165.15 37.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 36' ' ' PRO . 4.1 t70 -134.63 92.65 19.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.85 -178.39 16.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.282 0.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -72.94 147.16 88.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.839 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.79 148.79 65.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.82 88.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.0 mm -43.94 122.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 m -135.65 171.94 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 84.2 m95 -143.49 126.25 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -116.57 118.77 33.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 73' ' ' ASP . 23.0 tttt -93.87 101.83 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 62.52 36.37 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.16 42.0 25.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -148.11 142.57 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.911 0.386 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -52.76 135.67 35.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.607 ' HE1' HD11 ' A' ' 64' ' ' LEU . 1.4 t80 -168.84 142.87 2.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.8 -29.44 5.71 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.37 -0.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.46 -100.57 1.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -115.79 67.92 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -137.41 123.58 13.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.732 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -45.45 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' NH1' ' OD1' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -51.11 -44.34 61.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.22 158.64 15.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.453 HG23 ' NE2' ' A' ' 59' ' ' GLN . 5.8 t -174.75 172.18 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.57 119.7 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -66.5 -176.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.34 -26.32 66.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' GLY . 25.8 mt-30 -90.54 39.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 36.75 44.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.413 ' CG2' HD13 ' A' ' 27' ' ' LEU . 12.3 m -105.81 113.64 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 0.0 111.14 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.607 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -72.93 111.97 8.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -112.15 123.66 50.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 mt -131.39 124.83 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.426 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 68.3 mttt -104.4 178.3 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.428 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 5.8 m120 42.24 44.42 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -49.42 161.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -142.9 148.68 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -47.97 -21.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -80.08 -37.91 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.423 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 24.3 m-20 -44.24 -36.98 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -41.57 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.59 -172.55 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 92' ' ' ALA . 28.6 m -102.6 114.66 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.184 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.402 ' CD2' HD21 ' A' ' 28' ' ' LEU . 40.3 m-85 -88.81 142.01 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 93.5 m -132.83 88.17 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 7.5 t -64.24 113.35 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -107.6 144.77 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.839 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -131.11 88.99 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 m -86.9 144.69 26.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.0 p -156.29 159.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 t -50.31 -31.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -72.67 -68.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.94 -135.42 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -170.41 148.56 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.517 ' CG2' ' HB3' ' A' ' 81' ' ' ALA . 8.9 t -143.21 165.68 26.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.9 p -150.43 158.75 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.452 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 13.2 t-105 -126.22 177.15 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.9 p -130.33 138.31 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -164.28 160.86 21.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.72 114.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.711 HD11 HD12 ' A' ' 20' ' ' LEU . 52.5 tp -87.54 145.52 26.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -125.59 105.6 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.89 116.84 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.8 p -112.49 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -77.28 -29.57 53.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -128.98 43.4 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 p -147.19 122.9 10.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -113.92 69.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 130.86 -87.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' GLY . 49.5 m 36.11 46.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -115.76 -65.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.62 145.89 44.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.53 30.68 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 119.91 6.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 11.7 mm -97.54 152.82 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 56.0 mt -113.7 102.39 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -52.82 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -133.94 102.9 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.56 -167.73 38.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.6 Cg_endo -69.76 -179.17 2.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.95 150.39 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -58.08 114.0 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -128.72 150.64 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.423 HG23 ' HB3' ' A' ' 95' ' ' ASP . 68.5 m -116.17 102.97 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 mt -107.62 179.12 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.98 144.15 31.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 23' ' ' ASP . 9.3 p -62.79 162.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' HG22 ' A' ' 22' ' ' VAL . 4.2 m-20 55.46 49.36 16.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.09 -125.98 2.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -146.94 112.94 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 111.16 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -102.37 113.18 26.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.579 ' C ' HD12 ' A' ' 28' ' ' LEU . 5.9 mp -109.63 150.68 27.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD21 ' CE2' ' A' ' 77' ' ' TYR . 7.4 mp -128.11 138.29 52.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.1 123.34 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 t -146.44 117.69 7.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.88 126.49 39.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.22 158.32 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 t -136.12 150.3 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.13 156.12 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.6 t70 -124.05 122.64 26.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.76 159.71 89.23 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.331 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.68 134.65 86.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.646 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.79 153.4 68.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 39' ' ' VAL . 71.3 t -96.85 82.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 50.1 mm -37.43 142.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -151.23 169.03 22.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 92.7 m95 -138.42 122.35 17.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.55 115.19 29.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -93.05 101.01 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 58.64 43.1 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.4 43.15 63.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -153.09 153.22 32.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.8 t -57.38 138.84 54.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.634 ' HE1' HD11 ' A' ' 64' ' ' LEU . 28.5 t80 -170.09 140.29 1.62 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.661 0.743 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.697 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 53.3 Cg_endo -69.79 -47.51 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.34 0.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.94 -96.89 0.93 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -132.29 31.22 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -82.49 141.07 45.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.608 0.718 . . . . 0.0 110.894 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -49.69 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -69.96 -47.97 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.697 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -72.74 110.14 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 t -134.29 172.81 12.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 50' ' ' PRO . 16.9 mt -133.0 118.64 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.09 -177.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.28 -30.04 70.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -92.72 42.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 43.68 31.56 1.81 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.9 m -84.01 105.18 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 111.199 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.634 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -73.25 109.04 6.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.19 130.92 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 mt -129.37 124.23 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -102.42 154.18 19.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.5 m120 63.23 50.86 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 26' ' ' ALA . 7.7 mt -57.45 162.89 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 71.0 mtt-85 -140.21 145.44 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.5 mm -49.35 -21.84 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -85.56 -29.51 24.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 70' ' ' ARG . 91.3 m-20 -51.71 -31.29 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 94' ' ' LEU . 90.3 m -44.16 102.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.13 178.51 26.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.0 m -103.71 106.99 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.602 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -94.25 164.73 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m -144.25 125.34 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 5.7 t -89.07 103.51 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 88' ' ' THR . 48.3 t -98.59 141.85 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.646 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -126.96 91.4 3.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -83.18 133.36 35.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 p -146.16 151.49 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.7 t -38.9 -34.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -70.0 -70.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.48 -128.25 1.72 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -174.64 140.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 81' ' ' ALA . 14.6 t -126.83 175.78 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.3 p -155.0 150.12 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.509 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.2 t-105 -128.82 112.31 14.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.5 p -70.17 144.5 51.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -174.19 156.25 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 94' ' ' LEU . 10.1 p -134.21 163.01 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 74' ' ' THR . 8.9 tp -126.89 139.68 52.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 19' ' ' THR . 0.9 OUTLIER -117.59 106.33 13.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 22' ' ' VAL . 67.7 t -105.0 109.31 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.2 p -119.68 161.33 20.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.56 -39.11 93.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -86.29 -51.31 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -94.1 -43.7 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -166.36 142.7 4.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.39 -84.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -88.44 -44.29 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -121.5 169.43 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.31 157.54 14.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 165.93 29.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 113.18 3.29 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mt -106.83 128.61 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 31' ' ' LYS . 59.2 mt -85.29 86.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -41.84 -43.86 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -152.74 110.27 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.25 -164.83 34.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.443 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -166.8 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.65 147.99 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -59.62 113.96 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -127.62 142.51 51.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -109.26 99.24 8.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.99 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.81 171.46 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 97' ' ' THR . 8.5 p -91.33 151.68 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 64.6 29.18 13.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.16 -114.63 2.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -160.77 124.84 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 0.0 111.099 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.83 122.72 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -110.11 145.64 36.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 5.9 mp -126.65 111.76 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -85.25 117.4 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.4 t -139.96 106.04 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 11' ' ' ILE . 23.4 tttp -108.25 166.54 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.39 146.15 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -119.03 144.7 46.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.78 158.03 8.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -131.99 122.57 18.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.75 151.18 91.18 Favored 'Cis proline' 0 C--O 1.233 0.227 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.324 0.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.1 mt -47.13 140.59 6.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.879 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.0 Cg_endo -69.73 146.36 60.16 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.738 2.292 . . . . 0.0 112.36 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.7 t -86.54 85.77 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.51 134.26 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -147.67 178.3 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 1.004 ' CG ' HD12 ' A' ' 64' ' ' LEU . 84.4 m95 -144.1 120.6 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.36 115.18 29.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -87.62 100.93 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 59.07 41.76 20.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.4 42.49 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -155.62 149.05 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -49.67 141.47 9.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 27.0 t80 -171.73 139.75 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.74 -3.06 7.43 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.339 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.8 -100.86 0.65 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -130.94 52.08 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.25 133.22 22.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -42.31 3.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -60.97 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 50' ' ' PRO . . . -72.91 164.73 26.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.6 t -168.9 160.09 9.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 73.7 mt -131.8 118.66 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -69.24 -175.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -66.28 -30.16 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' GLY . 66.2 mt-30 -95.76 49.4 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 34.78 46.26 0.59 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -98.99 91.6 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.103 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.004 HD12 ' CG ' ' A' ' 42' ' ' TRP . 4.1 tt -71.3 111.46 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -115.83 122.56 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.4 120.12 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -96.11 161.33 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 54.79 51.89 13.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.1 mt -53.57 157.59 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 4.9 ptp180 -140.85 152.95 45.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -55.1 -17.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -86.45 -27.02 24.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' CG ' ' HG3' ' A' ' 70' ' ' ARG . 59.1 m-20 -62.35 -14.81 43.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 96.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.76 175.76 31.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.6 m -92.74 124.79 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -99.45 153.94 18.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 90' ' ' TRP . 35.6 m -137.92 115.27 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 25.3 t -89.99 107.26 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.69 134.47 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.879 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -121.81 97.3 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.1 m -92.45 149.61 21.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.4 t -170.03 145.92 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' SER . 29.3 t -36.59 -40.83 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -63.05 -68.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.41 -150.98 5.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 88' ' ' THR . 37.4 tt0 -160.94 156.42 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 87' ' ' GLU . 10.1 t -154.04 168.96 24.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.1 p -148.47 149.76 32.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.443 ' O ' HG23 ' A' ' 78' ' ' THR . 9.1 t-105 -123.09 157.9 31.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.2 p -112.49 145.94 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.47 149.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.01 143.47 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.447 ' HG ' HG23 ' A' ' 96' ' ' VAL . 14.9 tp -114.0 108.79 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.23 96.2 10.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.447 HG23 ' HG ' ' A' ' 94' ' ' LEU . 70.0 t -88.34 124.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 22' ' ' VAL . 33.9 p -118.77 179.78 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 22' ' ' VAL . 59.0 mm-40 -89.65 -22.0 22.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.3 m -110.53 -41.08 4.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -63.6 125.47 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.367 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -88.47 138.7 31.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.73 79.35 1.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 6' ' ' SER . 74.1 m -75.56 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' SER . 82.5 p -38.19 155.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.41 -161.35 23.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 169.87 17.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.8 mt -117.15 119.45 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' CG2' ' CA ' ' A' ' 14' ' ' GLY . 90.8 mt -72.12 92.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -59.01 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.72 79.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.422 ' CA ' ' CG2' ' A' ' 11' ' ' ILE . . . -66.93 -163.4 1.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -165.76 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -69.46 108.1 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.06 140.29 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -111.14 96.98 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 94' ' ' LEU . 6.7 mt -103.37 175.74 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 141.54 35.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 70' ' ' ARG . 2.7 p -48.55 150.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 66.64 39.29 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.35 -127.35 3.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.409 HG22 ' CD2' ' A' ' 27' ' ' LEU . 23.2 m -163.72 114.71 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 111.159 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.19 125.76 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.5 mm? -112.19 99.62 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.5 mp -88.29 108.05 19.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -92.64 115.31 27.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.65 86.54 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -83.99 127.64 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.9 149.85 42.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -118.53 140.02 50.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.76 138.8 2.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.465 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 t70 -114.2 122.78 33.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.8 169.52 63.13 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -53.38 133.27 53.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.749 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.7 Cg_endo -69.77 151.67 69.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.635 2.224 . . . . 0.0 112.372 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 80.3 t -89.83 83.87 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mm -48.47 107.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -112.65 -176.59 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.89 ' CG ' HD12 ' A' ' 64' ' ' LEU . 88.1 m95 -155.73 129.98 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.9 mt -121.76 118.48 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HD2' ' CE1' ' A' ' 49' ' ' PHE . 25.8 tttt -89.84 97.91 11.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 58.6 45.36 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.78 27.64 68.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -133.47 151.22 51.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -49.52 137.68 14.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 12.2 t80 -162.01 138.17 5.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.554 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.82 -43.74 0.58 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.347 0.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.57 76.0 1.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 36.9 42.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.661 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 1.8 t70 -77.03 141.31 67.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 53' ' ' ASP . 53.9 Cg_endo -69.75 -43.74 2.49 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -91.13 -28.47 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . . . -98.75 147.58 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.3 t -161.31 176.11 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt -126.14 125.03 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 60' ' ' GLU . 1.1 mp0 -66.09 148.71 51.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' GLN . 29.8 mt-10 -37.42 -34.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -81.66 -48.91 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.15 -30.51 0.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -39.87 104.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 42' ' ' TRP . 5.8 tt -71.32 124.99 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -121.74 126.32 48.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.1 125.59 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -105.58 159.43 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 59.24 43.88 16.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.53 162.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HA ' HG23 ' A' ' 22' ' ' VAL . 11.7 mtp-105 -149.86 143.37 25.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.1 mm -40.22 -26.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' ARG . 27.1 p -75.62 -44.66 41.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ARG . 75.0 m-20 -41.37 -35.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -39.26 117.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -168.2 -163.66 22.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.3 m -121.98 106.87 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.48 ' CD2' HD21 ' A' ' 28' ' ' LEU . 49.0 m-85 -85.88 138.16 32.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 90' ' ' TRP . 93.6 m -118.31 98.39 6.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.3 t -70.23 118.52 13.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 88' ' ' THR . 21.2 t -117.54 127.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -111.63 89.63 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -82.13 137.52 34.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.2 p -155.98 150.42 25.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -49.57 -25.56 2.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -77.25 -53.94 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.4 -150.24 5.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -169.8 141.97 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.489 ' O ' HG13 ' A' ' 80' ' ' VAL . 8.5 t -138.21 -176.61 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.403 ' N ' ' OG1' ' A' ' 88' ' ' THR . 45.7 p -154.65 159.48 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.452 ' O ' HG23 ' A' ' 78' ' ' THR . 7.0 t-105 -136.39 172.24 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 t -133.42 142.83 48.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.68 146.46 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -121.62 130.35 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.65 HD11 HD12 ' A' ' 20' ' ' LEU . 35.2 tp -105.82 87.57 2.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.35 111.96 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.8 t -103.44 126.06 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.3 p -124.52 167.42 14.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.402 ' HA ' HG12 ' A' ' 22' ' ' VAL . 32.0 mt-10 -81.85 -35.63 29.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.0 m -123.84 42.77 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -144.55 137.04 26.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -58.23 96.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.89 -173.14 33.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.6 p -125.36 37.3 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -122.51 154.11 38.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.67 -159.31 23.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 167.72 23.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.49 4.12 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.342 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 15.1 mm -109.55 153.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 11' ' ' ILE . 61.6 mt -101.83 86.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -45.48 -44.78 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -153.48 106.39 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.79 -165.32 37.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -165.55 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.03 171.68 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.89 115.88 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.08 146.2 51.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 m -117.54 103.59 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 42.5 mt -108.24 -179.08 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.76 176.03 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 98' ' ' GLU . 15.0 p -95.39 147.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 68.41 36.21 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.72 -116.45 2.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -159.55 123.57 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -102.88 112.47 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.49 114.7 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.916 HD21 ' CE1' ' A' ' 77' ' ' TYR . 5.9 mp -98.97 141.95 31.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 124.0 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.21 122.77 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -129.7 121.92 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 40' ' ' ILE . . . -129.21 141.72 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.062 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -114.54 140.57 48.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.02 161.35 30.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 36' ' ' PRO . 8.9 t70 -133.93 104.44 11.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.74 174.31 40.99 Favored 'Cis proline' 0 C--O 1.232 0.217 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.346 0.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.436 HD23 ' HD2' ' A' ' 38' ' ' PRO . 7.1 mt -64.24 139.21 97.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.896 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.0 Cg_endo -69.76 160.75 48.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.63 86.06 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.596 HG21 ' HA2' ' A' ' 62' ' ' GLY . 23.1 mm -49.64 119.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -131.03 176.15 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.515 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 72.9 m95 -143.83 141.14 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.4 mt -128.01 118.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 24.0 tttt -80.28 102.84 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 53.79 28.62 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.56 21.77 33.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -127.38 149.81 49.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -45.05 135.85 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 10.2 t80 -169.32 138.24 1.65 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.9 Cg_endo -69.78 -27.61 6.73 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.358 0.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.66 37.85 5.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.548 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 54.54 46.61 24.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.332 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -104.13 151.55 39.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.604 0.716 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -39.31 6.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.367 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -57.73 -56.77 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.67 155.43 16.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.9 t -162.1 166.17 26.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.784 HD13 HD12 ' A' ' 64' ' ' LEU . 1.7 mm -113.85 131.46 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -111.98 157.9 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 46.69 28.32 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 49.97 43.48 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.596 ' HA2' HG21 ' A' ' 40' ' ' ILE . . . 176.03 -39.83 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.3 m -74.82 88.82 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 111.138 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 58' ' ' ILE . 5.9 tp -66.45 119.62 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -116.06 150.1 37.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.6 mt -136.11 146.15 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -124.37 150.84 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.0 48.65 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.7 mt -53.13 156.45 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -146.22 144.9 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.52 -22.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.3 p -80.23 -37.59 32.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' THR . 1.3 m-20 -49.79 -35.88 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASP . 35.4 m -37.94 111.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.075 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.73 -166.34 19.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.455 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.913 HG23 ' O ' ' A' ' 92' ' ' ALA . 76.7 m -122.15 105.82 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 111.147 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.916 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.2 p90 -86.52 159.36 19.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 90' ' ' TRP . 98.7 m -130.4 108.26 9.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 9.0 t -79.07 104.54 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.85 138.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.896 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.76 91.91 3.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -82.09 153.32 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.1 p -167.1 151.33 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.3 t -45.93 -22.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -78.9 -65.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.17 -141.87 3.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -172.34 125.16 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 t -129.13 152.09 49.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.5 p -134.87 155.04 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.701 ' O ' HG23 ' A' ' 78' ' ' THR . 11.4 t-105 -119.9 -177.0 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.0 p -147.06 138.73 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.913 ' O ' HG23 ' A' ' 76' ' ' THR . . . -167.26 162.48 14.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.438 HG22 ' OG1' ' A' ' 76' ' ' THR . 93.3 t -129.33 143.89 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 tp -121.92 121.71 37.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.1 116.86 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.2 t -105.34 120.97 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.5 p -111.05 178.8 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.541 ' HA ' HG12 ' A' ' 22' ' ' VAL . 46.9 mt-10 -83.69 -37.25 23.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 100' ' ' GLY . 54.8 m -98.89 -51.49 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -62.39 -49.67 74.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -121.09 142.65 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.1 179.24 21.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 48.96 40.81 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -85.03 -49.14 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.23 157.04 23.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 169.95 17.68 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 123.05 9.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.1 mt -108.91 127.85 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 mt -79.69 81.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.5 mt -40.3 -38.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -162.83 110.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.89 -160.92 34.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.1 Cg_endo -69.72 -169.87 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.274 . . . . 0.0 112.367 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.6 156.54 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 106.84 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -123.31 136.52 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -103.6 100.26 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 71.7 mt -104.77 -179.6 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' HA3' ' A' ' 100' ' ' GLY . . . -104.85 143.25 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 23' ' ' ASP . 9.7 p -57.75 157.37 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' N ' HG22 ' A' ' 22' ' ' VAL . 18.5 m-20 56.98 51.09 11.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.78 -117.63 1.46 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.52 HG22 HD21 ' A' ' 27' ' ' LEU . 1.5 m -159.13 116.77 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -104.71 117.26 33.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -110.68 116.23 30.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.9 mp -100.32 97.43 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -66.28 135.85 55.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 t -155.47 140.0 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -143.69 134.45 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.7 130.39 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -103.55 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 169.41 17.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.467 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 6.0 t70 -143.21 123.03 7.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.7 149.8 89.0 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.337 -0.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.793 HD12 ' HD2' ' A' ' 38' ' ' PRO . 4.7 tp -37.79 136.88 0.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.953 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.9 Cg_endo -69.82 172.68 12.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -117.65 88.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mm -44.35 124.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.569 ' HB2' HG13 ' A' ' 80' ' ' VAL . 7.5 m -134.77 133.33 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -110.46 119.11 38.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.9 mt -107.79 109.26 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -82.74 105.83 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 55.25 40.72 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.63 49.04 20.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -156.49 148.11 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -52.71 129.85 30.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 43.6 t80 -158.53 138.04 8.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.612 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 53.4 Cg_endo -69.77 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.318 0.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.19 -115.98 5.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -103.31 89.4 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -170.36 131.72 0.94 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -46.3 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -51.6 -55.25 20.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -84.59 130.85 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -161.3 160.84 30.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 59' ' ' GLN . 23.8 mt -109.26 155.44 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' N ' HG22 ' A' ' 58' ' ' ILE . 52.7 mm-40 -100.12 -176.58 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.16 -9.32 55.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -120.84 46.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 40.85 50.62 4.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 m -108.51 99.67 9.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 112.19 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.402 ' NE2' ' HE2' ' A' ' 67' ' ' LYS . 18.0 tt0 -110.23 135.45 50.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.0 mt -133.02 126.02 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HE2' ' NE2' ' A' ' 65' ' ' GLN . 25.9 mttm -103.99 153.48 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 60.77 48.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.33 160.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -138.14 147.48 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.14 -20.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -87.41 -31.2 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -50.34 -24.97 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 94' ' ' LEU . 93.9 m -47.77 100.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.92 -177.55 20.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 76' ' ' THR . 3.7 m -107.25 95.59 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.548 ' CD2' HD21 ' A' ' 28' ' ' LEU . 54.8 m-85 -75.48 149.18 38.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 90' ' ' TRP . 54.4 m -128.6 115.2 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.2 t -88.4 100.3 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 41' ' ' SER . 1.3 p -111.86 125.17 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.953 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -110.0 95.14 5.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -79.67 154.83 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.1 p -167.13 151.06 6.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 m -42.05 -39.7 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.8 t -60.91 -70.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.37 -139.63 3.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -165.34 141.11 5.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 80' ' ' VAL . 6.0 t -138.58 156.93 47.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -142.42 153.88 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.448 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 12.6 t-105 -121.96 -177.29 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 99.4 p -137.76 139.33 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 76' ' ' THR . . . -168.51 168.31 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.5 p -153.33 140.13 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.45 ' HG ' HG23 ' A' ' 96' ' ' VAL . 14.7 tp -106.96 113.77 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.98 87.12 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.45 HG23 ' HG ' ' A' ' 94' ' ' LEU . 74.8 t -83.92 118.4 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.6 p -131.0 168.15 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -68.61 -36.62 78.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.5 p -89.69 -27.86 19.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.487 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -93.58 -61.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 m -74.99 126.6 31.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.16 -154.21 16.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -117.66 130.66 56.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -99.23 95.33 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.95 -151.15 17.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 169.51 18.9 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.325 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 118.46 5.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -119.29 127.99 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.5 mt -86.3 95.87 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.45 -55.73 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -124.61 87.45 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.11 -170.21 45.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.7 Cg_endo -69.74 -178.12 2.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.97 141.39 8.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -52.71 107.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -120.96 156.0 33.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.6 m -123.43 107.38 11.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.2 mt -114.61 171.72 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 153.36 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.587 HG22 ' N ' ' A' ' 23' ' ' ASP . 7.3 p -63.76 162.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.587 ' N ' HG22 ' A' ' 22' ' ' VAL . 12.2 t70 59.61 32.21 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.7 -162.92 11.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.605 HG22 ' CD2' ' A' ' 27' ' ' LEU . 7.1 m -119.15 120.94 38.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 111.15 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.17 114.25 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.1 mm? -111.42 107.04 16.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.768 HD21 ' CE2' ' A' ' 77' ' ' TYR . 7.1 mp -92.4 134.13 35.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.02 139.1 38.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 t -161.19 108.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -116.75 112.66 21.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -116.29 149.31 39.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 t -123.58 135.44 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.72 166.51 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 15.1 t70 -140.67 122.01 9.24 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.77 150.47 90.24 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.334 0.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -40.16 133.37 1.52 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.956 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.81 165.67 30.25 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.16 92.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.412 HG21 ' HA3' ' A' ' 62' ' ' GLY . 28.4 mm -52.84 128.47 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.405 ' HB2' HG13 ' A' ' 80' ' ' VAL . 8.5 m -141.76 148.71 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.89 ' CD1' HD12 ' A' ' 64' ' ' LEU . 80.4 m95 -120.26 120.48 36.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -104.23 112.57 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.532 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 14.2 tttm -95.74 106.95 19.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 60.63 34.05 20.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.6 46.14 49.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.98 139.7 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.953 0.406 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -40.55 130.82 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 3.5 t80 -161.75 140.15 7.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.689 0.757 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.2 Cg_endo -69.78 -2.9 7.41 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.359 0.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 -98.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -134.45 91.6 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -154.47 136.39 9.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -51.22 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -51.32 -49.67 60.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.43 145.51 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -163.6 161.74 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.457 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 73.6 mt -108.92 96.27 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.51 -176.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.427 ' C ' ' CG ' ' A' ' 61' ' ' GLN . 20.5 tt0 -48.95 162.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.445 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 3.2 pt20 42.32 52.77 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . 40.14 46.32 3.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.445 ' HG1' ' HG3' ' A' ' 61' ' ' GLN . 85.3 m -92.95 93.19 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.134 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.89 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.4 tt -60.03 144.93 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' N ' HD23 ' A' ' 64' ' ' LEU . 8.1 tt0 -145.67 122.02 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt -124.71 112.18 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -93.72 147.32 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 66.94 53.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.62 164.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 63.4 mtp180 -144.86 137.5 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.454 HD11 ' CG ' ' A' ' 98' ' ' GLU . 12.4 mm -39.73 -29.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' ASP . 20.2 t -77.63 -42.63 34.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 52.6 m-20 -37.71 -38.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.9 m -38.86 99.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.95 -177.04 21.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 92' ' ' ALA . 84.9 m -111.15 112.61 24.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 111.119 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.768 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -100.78 156.9 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.9 m -135.03 116.34 14.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.4 t -83.6 106.12 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 88' ' ' THR . 1.1 p -114.72 139.4 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.956 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -121.92 98.61 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -83.32 150.29 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 p -166.8 157.84 12.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -52.12 -27.43 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.0 m -71.73 -66.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.23 -138.34 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -173.52 139.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 80' ' ' VAL . 15.2 t -141.91 161.1 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -141.53 146.02 35.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.44 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 7.8 t-105 -118.85 122.25 41.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.8 p -79.74 142.85 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 76' ' ' THR . . . -173.05 161.84 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.565 HG22 ' N ' ' A' ' 94' ' ' LEU . 8.9 p -142.02 162.0 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.565 ' N ' HG22 ' A' ' 93' ' ' VAL . 5.9 tp -131.82 122.29 25.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -102.94 118.02 35.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.64 116.3 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.7 p -106.83 -178.5 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.454 ' CG ' HD11 ' A' ' 71' ' ' ILE . 53.0 mt-10 -98.36 -25.16 14.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.2 p -127.37 34.95 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m 56.93 45.85 20.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -42.29 -45.53 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.18 121.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -102.91 146.32 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -112.2 37.97 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.96 148.14 17.37 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 164.94 32.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.735 2.29 . . . . 0.0 112.305 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.64 16.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 mt -120.46 128.0 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -81.58 85.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.3 mt -39.09 -46.02 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -155.28 105.95 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.08 -157.64 33.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -178.49 2.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.18 154.44 27.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -64.93 105.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.05 147.7 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -114.45 96.03 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 23.5 mt -98.63 170.74 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.6 138.25 38.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 98' ' ' GLU . 9.4 p -50.79 159.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.507 ' N ' HG22 ' A' ' 22' ' ' VAL . 36.1 m-20 62.17 38.02 13.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.45 -140.58 4.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 27' ' ' LEU . 10.8 m -140.12 127.9 21.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -109.79 110.28 21.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.3 mm? -100.36 107.79 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 77' ' ' TYR . 5.8 mp -95.88 104.69 16.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -77.97 144.14 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -166.33 133.43 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -145.79 133.57 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -135.84 132.17 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t -99.73 152.56 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.04 168.69 21.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 26.8 t70 -140.66 122.13 9.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.77 163.7 81.17 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.351 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.33 133.21 42.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.676 0.75 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.783 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.5 Cg_endo -69.81 163.05 39.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.53 82.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.597 HD13 ' HB2' ' A' ' 81' ' ' ALA . 26.0 mm -44.81 141.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -151.37 143.16 23.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.803 ' CD1' HD12 ' A' ' 64' ' ' LEU . 85.3 m95 -111.96 126.8 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -118.47 110.91 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 11.1 ttmt -86.33 109.53 19.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 54.55 39.83 31.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.27 41.61 68.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' THR . 92.9 m-85 -148.36 142.73 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' PHE . 11.3 t -37.57 144.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.546 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 9.8 t80 -174.94 137.54 0.57 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.698 0.761 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.3 Cg_endo -69.81 -17.88 11.89 Favored 'Cis proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.329 0.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.83 -122.88 6.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -112.44 49.14 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 56' ' ' ALA . 78.7 m-20 -97.08 136.62 21.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -73.89 -46.09 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 53' ' ' ASP . . . -77.69 135.91 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 t -175.26 159.64 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 mt -93.04 142.65 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -92.62 -74.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' GLN . 36.6 mm-40 -100.01 65.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' GLU . 14.9 pt20 34.44 38.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.88 -25.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 63' ' ' THR . 83.5 m -91.39 78.54 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 111.176 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.4 tt -53.33 155.86 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.619 ' N ' HD23 ' A' ' 64' ' ' LEU . 22.8 tt0 -148.6 126.63 12.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.406 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 12.3 mt -130.31 111.89 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -95.58 152.14 18.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 61.89 43.59 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -42.73 165.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 73' ' ' ASP . 31.7 mtp85 -145.99 139.57 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.803 HD11 ' HG2' ' A' ' 98' ' ' GLU . 34.5 mm -39.51 -28.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.6 t -75.19 -41.18 58.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 70' ' ' ARG . 9.9 m-20 -38.09 -41.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 94' ' ' LEU . 88.3 m -38.78 128.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.34 -140.84 3.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 53.5 m -136.75 108.65 7.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.497 ' CD2' HD21 ' A' ' 28' ' ' LEU . 83.6 m-85 -83.68 135.87 34.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 90' ' ' TRP . 32.0 m -123.67 97.08 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.7 t -77.65 100.01 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -106.12 142.73 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.783 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -128.07 101.69 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.9 m -88.95 151.74 22.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.8 p -164.26 157.17 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 t -47.29 -32.57 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.7 m -73.27 -72.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -144.5 -148.92 4.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -164.45 140.02 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.5 t -136.36 148.24 47.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.4 p -125.66 145.9 49.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.41 ' O ' HG23 ' A' ' 78' ' ' THR . 12.2 t-105 -111.1 171.21 7.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.8 p -130.64 141.43 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' C ' HG23 ' A' ' 93' ' ' VAL . . . -155.1 -178.77 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.4 HG23 ' C ' ' A' ' 92' ' ' ALA . 78.2 t -156.4 121.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.675 HD12 HG23 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -104.72 115.55 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.466 ' N ' HD13 ' A' ' 94' ' ' LEU . 3.9 t70 -106.43 101.75 11.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.675 HG23 HD12 ' A' ' 94' ' ' LEU . 97.6 t -88.08 115.52 28.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.1 p -109.48 148.9 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.197 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.803 ' HG2' HD11 ' A' ' 71' ' ' ILE . 38.5 mm-40 -70.52 -45.74 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 p -118.03 42.32 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -108.47 130.81 55.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -116.51 160.31 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.57 -75.74 0.21 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -77.57 130.53 37.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -78.49 111.14 14.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.81 -158.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 169.89 17.84 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.364 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.7 Cg_endo -69.76 110.77 2.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.732 2.288 . . . . 0.0 112.346 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 14.3 mm -109.03 153.58 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.481 ' HB ' ' CZ3' ' A' ' 90' ' ' TRP . 41.5 mt -103.2 91.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.65 -54.98 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -127.57 91.92 3.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.08 -172.8 48.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 54.0 Cg_endo -69.73 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.44 149.55 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 1.3 p30 -60.11 110.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.518 ' NE2' HD13 ' A' ' 28' ' ' LEU . 6.5 pt20 -124.7 146.49 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.3 m -111.95 102.85 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.28 175.34 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.31 162.85 18.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 98' ' ' GLU . 14.6 p -81.54 144.47 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t0 64.52 45.23 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.81 -116.38 1.81 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -150.27 129.07 12.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.111 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -126.81 112.26 15.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.782 ' C ' HD22 ' A' ' 28' ' ' LEU . 2.5 mp -106.95 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.782 HD22 ' C ' ' A' ' 27' ' ' LEU . 2.0 mm? -122.05 113.27 19.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 9.1 mptt -83.27 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.75 111.81 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.65 121.61 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -121.55 158.33 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.28 138.78 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.38 146.45 4.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 4.9 t0 -120.68 122.6 28.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.83 166.22 74.8 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.33 0.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD12 ' HD2' ' A' ' 38' ' ' PRO . 13.9 tp -52.4 135.27 42.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 1.016 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.9 Cg_endo -69.75 159.72 52.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.0 t -99.74 91.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.451 HG21 ' HA3' ' A' ' 62' ' ' GLY . 33.1 mm -54.19 131.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.525 ' HB2' HG13 ' A' ' 80' ' ' VAL . 1.9 m -140.37 161.82 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.939 ' CG ' HD12 ' A' ' 64' ' ' LEU . 94.9 m95 -134.59 128.37 33.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.6 mt -119.9 116.81 26.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -94.36 99.81 11.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 32.3 mt-10 62.12 46.76 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.38 47.27 89.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CD2' ' O ' ' A' ' 45' ' ' GLU . 68.6 m-85 -153.11 146.33 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.2 t -50.65 135.25 23.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 5.9 t80 -163.42 138.87 5.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.79 -42.96 0.67 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.329 0.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.4 -100.84 1.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -75.4 -57.36 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.855 -179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' ARG . 18.2 m-20 -32.69 96.0 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.729 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' ARG . 54.2 Cg_endo -69.68 -16.09 37.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.731 2.288 . . . . 0.0 112.369 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -66.57 -49.87 64.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.71 169.99 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -169.67 169.73 8.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.449 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 9.9 mt -129.66 132.85 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -91.51 177.34 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -50.01 -40.71 45.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -87.64 43.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.451 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . 39.55 31.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -81.53 109.77 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.939 HD12 ' CG ' ' A' ' 42' ' ' TRP . 3.2 tt -85.53 110.89 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -110.62 113.51 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' OH ' ' A' ' 77' ' ' TYR . 14.1 mt -103.51 129.14 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -111.77 145.18 39.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m120 69.91 45.6 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 26' ' ' ALA . 37.2 mt -51.39 159.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 58.1 mtp180 -139.44 157.97 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.8 mm -58.86 -16.67 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -89.92 -17.72 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -32.75 73.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -46.69 116.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.21 -115.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 92' ' ' ALA . 92.6 m -166.0 121.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' CD1' ' A' ' 66' ' ' ILE . 62.3 m-85 -94.33 148.89 21.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 90' ' ' TRP . 56.0 m -133.58 102.46 5.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.24 114.4 17.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.525 HG13 ' HB2' ' A' ' 41' ' ' SER . 1.1 p -123.49 132.39 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 1.016 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.55 100.17 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -85.34 154.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 84' ' ' SER . 23.0 p -173.57 147.68 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' SER . 1.3 t -37.77 -41.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -55.42 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.19 -132.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -173.32 148.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 14.5 t -151.69 159.99 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 99.8 p -138.21 162.93 33.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.559 ' O ' HG23 ' A' ' 78' ' ' THR . 8.0 t-105 -129.07 164.14 23.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -123.59 144.39 49.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 76' ' ' THR . . . -167.91 146.32 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.12 120.17 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.637 HD13 ' N ' ' A' ' 95' ' ' ASP . 1.6 tm? -99.0 118.76 36.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.637 ' N ' HD13 ' A' ' 94' ' ' LEU . 5.1 m-20 -104.22 114.89 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.628 HG23 HD12 ' A' ' 94' ' ' LEU . 69.4 t -103.22 120.35 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' VAL . 61.4 p -114.1 -178.48 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.485 ' HA ' HG12 ' A' ' 22' ' ' VAL . 51.6 mt-10 -95.96 -16.54 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.0 m -112.28 -53.83 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -68.35 95.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -129.06 158.54 38.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.09 -112.35 0.3 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -44.59 -54.32 6.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -107.35 144.36 34.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.53 -173.53 13.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 158.69 56.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.748 2.298 . . . . 0.0 112.321 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' O ' ' CG2' ' A' ' 88' ' ' THR . 53.9 Cg_endo -69.78 126.9 13.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 16.3 mm -100.39 158.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 11' ' ' ILE . 65.4 mt -108.27 91.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -44.67 -43.61 8.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -152.75 112.95 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.75 -166.25 24.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.24 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.59 157.07 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -62.3 101.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -120.1 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -117.18 101.26 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -109.61 176.46 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.08 166.49 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.51 HG23 ' HA ' ' A' ' 70' ' ' ARG . 3.4 p -84.27 152.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 74.73 37.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.76 -123.33 2.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.579 HG22 ' CD2' ' A' ' 27' ' ' LEU . 23.9 m -160.83 124.07 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.24 106.13 16.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.579 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.5 mm? -95.53 97.51 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.854 ' O ' HG23 ' A' ' 63' ' ' THR . 8.0 mp -79.39 128.62 33.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -98.87 117.53 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 t -143.21 124.79 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -134.04 127.52 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.82 148.15 50.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -125.26 137.04 54.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.2 170.97 35.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 28.2 t70 -137.04 125.74 15.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 54.0 Cg_endo -69.73 168.76 66.23 Favored 'Cis proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.38 -0.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.503 HD13 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.64 121.12 14.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.941 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.3 Cg_endo -69.87 149.33 66.04 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.1 t -92.33 117.42 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.407 HG21 ' HA3' ' A' ' 62' ' ' GLY . 49.0 mm -74.33 108.14 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.471 ' O ' HG12 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -124.84 132.33 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.75 ' CZ3' HD23 ' A' ' 28' ' ' LEU . 45.9 m95 -105.79 141.7 36.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 119.45 26.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -85.92 105.7 16.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.5 40.8 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.79 17.88 79.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -121.87 159.42 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -51.3 146.96 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 10.4 t80 -171.95 138.25 1.0 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.79 -41.0 0.98 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.331 -0.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . 91.23 80.53 1.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' GLY . 12.6 ptt-85 34.56 51.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 1.5 t70 -92.07 141.19 24.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.618 0.723 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 53' ' ' ASP . 54.4 Cg_endo -69.72 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -89.7 -38.39 13.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.647 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . . . -83.31 119.29 24.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 t -139.72 169.53 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.8 mt -120.64 146.06 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 61' ' ' GLN . 13.9 mm-40 -87.42 149.39 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -42.12 -25.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 59' ' ' GLN . 16.5 mp0 -89.65 -39.86 12.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . 139.61 -10.42 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 28' ' ' LEU . 90.1 m -57.58 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.507 HD12 ' CG ' ' A' ' 42' ' ' TRP . 6.9 tt -71.43 130.86 42.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -127.58 126.99 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.69 96.39 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -76.05 153.89 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 58.44 53.76 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.4 mt -49.88 169.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.51 ' HA ' HG23 ' A' ' 22' ' ' VAL . 12.5 mtp-105 -157.93 146.81 19.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.5 mm -51.19 -27.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 t -79.29 -24.17 43.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -66.27 -24.28 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.3 m -48.8 106.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.36 -165.88 13.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 92' ' ' ALA . 20.9 m -125.19 99.43 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 111.148 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.508 ' CZ ' HD21 ' A' ' 28' ' ' LEU . 1.4 p90 -80.58 166.36 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 90' ' ' TRP . 9.7 m -143.6 106.15 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 36.8 t -78.56 118.09 20.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 41' ' ' SER . 1.1 p -125.06 145.56 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.941 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -122.58 90.14 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -76.51 143.46 40.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -168.61 148.68 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.2 m -39.58 -42.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -58.17 -65.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -152.98 -143.72 3.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -172.5 114.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.941 0.4 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 15.4 t -114.78 153.04 31.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -133.48 155.04 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.546 ' O ' HG23 ' A' ' 78' ' ' THR . 10.5 t-105 -129.34 141.71 51.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.5 p -102.78 141.4 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 76' ' ' THR . . . -165.26 149.8 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.8 t -122.33 149.43 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.7 tp -127.51 111.16 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.17 118.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.24 114.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.42 ' O ' HG12 ' A' ' 22' ' ' VAL . 65.6 p -100.01 -175.6 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -99.81 -20.65 16.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 100' ' ' GLY . 9.3 t -121.82 -38.21 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -128.68 115.31 17.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -59.14 167.56 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.44 139.59 6.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -41.59 -50.21 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.826 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 m -74.37 130.59 39.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.94 -168.17 28.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.87 23.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 129.6 17.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.376 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.9 mt -124.35 140.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 11' ' ' ILE . 94.1 mt -89.76 85.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -48.7 -58.26 5.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -125.78 82.76 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' HA3' HG21 ' A' ' 11' ' ' ILE . . . -81.81 -171.41 45.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.75 160.3 39.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 2.1 p30 -68.98 108.66 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.498 HE21 HD23 ' A' ' 28' ' ' LEU . 10.3 pt20 -122.24 150.57 42.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 m -119.84 95.97 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 20.3 mt -97.88 176.25 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.53 140.49 37.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 23' ' ' ASP . 2.4 p -46.34 156.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.482 ' N ' HG22 ' A' ' 22' ' ' VAL . 63.7 m-20 62.33 36.97 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.14 -127.13 3.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.1 m -163.6 119.3 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . . . -89.9 113.33 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.27 80.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.498 HD23 HE21 ' A' ' 18' ' ' GLN . 10.6 mt -89.23 102.5 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HG3' HG23 ' A' ' 63' ' ' THR . 18.9 mttt -85.55 138.95 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.8 t -134.6 84.33 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 11' ' ' ILE . 25.9 tttt -81.05 138.06 36.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.19 148.87 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -122.18 147.27 46.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.75 169.7 27.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 5.1 p-10 -141.6 121.98 8.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.598 0.713 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.5 Cg_endo -69.81 171.07 55.65 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.317 0.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.72 128.86 35.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.75 148.05 64.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -89.87 99.66 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.03 138.78 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -142.18 -179.14 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CD2' HD12 ' A' ' 64' ' ' LEU . 98.1 m95 -153.89 135.54 14.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.3 mt -128.57 112.59 14.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -86.83 105.92 17.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 53.33 42.79 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.69 39.7 59.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -145.79 157.1 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.983 0.421 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 t -55.72 142.47 34.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 24.0 t80 -174.97 137.93 0.58 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 54.3 Cg_endo -69.68 -3.2 7.45 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.38 -0.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.74 -115.38 7.75 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -119.24 54.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.78 133.77 20.83 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.232 . . . . 0.0 112.353 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -56.64 -54.86 41.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -70.59 140.95 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -156.82 165.41 36.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.474 HD11 ' CD ' ' A' ' 50' ' ' PRO . 20.1 mt -125.38 111.85 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.34 173.33 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -53.21 -40.52 64.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' GLY . 32.5 mm-40 -85.46 46.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 61' ' ' GLN . . . 34.17 37.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.416 HG23 ' HG3' ' A' ' 29' ' ' LYS . 4.9 m -89.72 94.44 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.16 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -61.93 94.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -99.23 120.37 39.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 mt -120.02 113.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -90.31 156.4 18.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 61.91 47.51 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 73' ' ' ASP . 37.2 mtp180 -145.92 140.11 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.6 mm -38.49 -27.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' ARG . 8.3 t -74.32 -43.76 55.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' ARG . 1.9 m-20 -36.14 -36.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' ASP . 92.7 m -35.44 133.56 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.58 175.18 39.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 92' ' ' ALA . 43.9 m -98.39 110.97 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.135 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -85.39 148.5 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 91.1 m -139.23 105.28 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 46.6 t -83.76 116.85 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.2 t -108.18 123.09 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -110.39 100.01 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.3 m -93.9 151.26 19.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.4 p -174.93 153.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 t -45.67 -30.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.7 m -65.22 -55.23 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.97 -130.1 1.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -174.69 141.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 t -142.82 169.4 17.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.5 p -150.43 145.36 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -110.88 175.16 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.5 p -132.82 125.93 31.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 76' ' ' THR . . . -146.36 159.9 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.6 t -141.61 112.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.661 ' CD1' HG23 ' A' ' 96' ' ' VAL . 3.3 tm? -92.56 121.65 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.456 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -113.1 110.11 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.661 HG23 ' CD1' ' A' ' 94' ' ' LEU . 49.1 t -97.42 117.94 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.8 p -117.35 161.36 19.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.452 ' HA ' HG12 ' A' ' 22' ' ' VAL . 8.8 mm-40 -72.04 -39.77 68.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLY . 58.4 m -129.81 58.84 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -100.38 41.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -48.84 161.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.72 -108.4 3.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 m -74.22 157.37 36.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m 49.14 42.57 21.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.34 145.46 16.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.4 34.69 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 106.89 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mt -90.63 131.19 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 11' ' ' ILE . 63.5 mt -87.11 89.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' ILE . 19.6 mt -35.23 -42.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -169.27 107.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.79 -158.09 30.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.29 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.2 169.58 17.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -79.36 106.58 11.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -128.63 140.23 51.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -102.47 103.31 13.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 HD11 ' A' ' 94' ' ' LEU . 41.8 mt -106.4 -178.76 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.42 168.61 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.551 HG22 ' N ' ' A' ' 23' ' ' ASP . 10.2 p -91.25 164.14 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.551 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER 56.34 31.73 19.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.69 -135.92 4.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 m -138.51 123.28 18.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.38 119.02 38.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mt -111.21 118.25 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -110.86 131.91 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 134.17 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -147.49 111.58 5.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.2 mttp -112.5 157.29 21.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.12 139.99 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -120.1 132.58 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.35 177.89 42.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.535 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.9 t70 -142.99 123.82 8.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.578 0.704 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.81 -179.81 20.3 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 0.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -62.16 123.44 78.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.64 0.733 . . . . 0.0 110.923 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.66 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 54.3 Cg_endo -69.7 142.25 47.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.7 t -85.89 109.58 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.473 HG23 ' SG ' ' A' ' 79' ' ' CYS . 47.1 mm -66.51 120.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -123.73 -176.42 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.802 ' CG ' HD12 ' A' ' 64' ' ' LEU . 91.1 m95 -152.92 136.23 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.06 113.61 19.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 33.4 tttp -83.64 100.41 10.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 60.1 45.45 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.16 43.69 79.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -154.6 155.05 34.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -50.88 139.39 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 45.1 t80 -172.31 138.76 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.75 -48.66 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.4 -126.56 8.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -97.25 48.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -116.97 126.12 27.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.1 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.288 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -46.37 -52.86 12.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.73 161.47 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -167.74 163.24 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.9 mt -126.02 129.44 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' GLN . 38.2 mm-40 -69.16 146.87 52.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mp0 -38.29 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' GLN . 31.9 mt-30 -82.85 -50.48 8.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.99 -16.87 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.5 m -48.52 111.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 111.172 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.802 HD12 ' CG ' ' A' ' 42' ' ' TRP . 2.1 tt -79.17 113.74 17.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -110.8 116.58 31.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.462 HG13 HD22 ' A' ' 64' ' ' LEU . 38.8 mt -114.65 124.86 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -102.47 158.6 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 55.81 51.04 12.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -52.01 169.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 73' ' ' ASP . 23.1 mtm180 -155.06 140.85 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.5 mm -42.48 -23.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . 43.3 t -79.89 -38.93 31.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 70' ' ' ARG . 16.6 m-20 -42.88 -35.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 94' ' ' LEU . 95.4 m -42.65 115.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.64 -167.85 25.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.8 m -106.86 103.2 12.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.816 0.341 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.46 115.21 24.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.8 HG23 ' O ' ' A' ' 90' ' ' TRP . 31.3 m -107.79 108.36 19.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' A' ' 40' ' ' ILE . 6.1 t -78.01 113.69 16.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 88' ' ' THR . 86.7 t -109.15 131.31 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -114.76 99.47 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 m -87.56 144.79 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 84' ' ' SER . 73.6 p -167.46 146.25 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' SER . 19.8 m -35.57 -44.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -52.45 -60.43 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.23 -128.64 0.98 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -174.77 142.41 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 80' ' ' VAL . 11.1 t -141.01 170.86 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 54.8 p -150.92 159.17 44.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.8 ' O ' HG23 ' A' ' 78' ' ' THR . 15.6 t-105 -124.71 -177.93 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.0 p -137.73 134.58 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -154.62 153.1 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -132.16 108.11 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.582 HD11 HD12 ' A' ' 20' ' ' LEU . 23.4 tp -89.65 117.82 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.74 101.67 12.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -92.06 125.85 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 p -117.88 -175.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.502 ' HA ' HG12 ' A' ' 22' ' ' VAL . 41.9 mt-10 -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.9 m -118.22 39.19 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.546 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -125.18 135.55 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m 51.98 41.52 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.19 -60.91 7.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -122.96 124.14 42.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -86.13 -50.96 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.4 -149.27 10.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' O ' HD12 ' A' ' 10' ' ' ILE . 54.6 Cg_endo -69.72 169.59 18.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.379 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 130.77 19.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.33 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 8' ' ' PRO . 5.4 mp -110.69 141.4 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -94.53 92.27 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.458 HD11 ' HB ' ' A' ' 33' ' ' THR . 35.4 mt -49.82 -60.3 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -132.26 102.8 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.0 -164.46 35.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.471 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 53.5 Cg_endo -69.8 175.39 8.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.52 154.12 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -67.79 102.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' NE2' HD13 ' A' ' 28' ' ' LEU . 15.1 pt20 -117.06 137.22 52.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.2 m -111.24 101.39 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 mt -106.98 177.74 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.2 147.21 24.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.616 HG23 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -59.84 158.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' N ' HG22 ' A' ' 22' ' ' VAL . 1.0 OUTLIER 63.33 40.53 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.66 -127.3 2.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.672 HG22 ' CD2' ' A' ' 27' ' ' LEU . 28.0 m -149.44 136.07 19.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.327 . . . . 0.0 111.159 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.21 112.21 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 25' ' ' THR . 4.6 mm? -107.63 115.15 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -97.75 115.35 27.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 125.52 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.9 t -146.4 145.16 30.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -158.96 124.48 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.51 134.26 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.458 ' HB ' HD11 ' A' ' 12' ' ' LEU . 14.6 t -108.82 150.75 27.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.67 -170.25 34.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.45 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 9.9 t70 -156.54 124.27 2.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.7 Cg_endo -69.8 159.87 89.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD22 ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -47.86 121.79 8.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.674 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.6 Cg_endo -69.81 140.16 41.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.54 111.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.588 HG21 ' HA2' ' A' ' 62' ' ' GLY . 24.2 mm -65.35 145.58 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -154.27 160.0 41.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.751 ' CD1' HD12 ' A' ' 64' ' ' LEU . 94.6 m95 -131.42 126.56 35.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.5 mt -117.69 116.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -87.31 103.82 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 55.23 40.01 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.25 47.58 12.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -157.24 151.09 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 t -45.46 140.57 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 36.5 t80 -169.71 137.96 1.51 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.8 Cg_endo -69.74 -36.98 2.14 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.329 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.61 -166.32 43.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -65.94 84.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.1 133.15 7.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.577 0.703 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -51.02 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -53.77 -56.57 16.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -88.79 133.61 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -163.2 160.15 23.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.5 mt -94.88 140.76 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -87.03 -68.6 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' GLN . 23.5 mm-40 -122.16 68.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' GLU . 40.2 mt-30 36.99 46.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.588 ' HA2' HG21 ' A' ' 40' ' ' ILE . . . 174.98 -55.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.7 m -71.74 87.43 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.751 HD12 ' CD1' ' A' ' 42' ' ' TRP . 1.7 tt -65.63 149.85 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.564 ' N ' HD23 ' A' ' 64' ' ' LEU . 33.0 tt0 -138.07 136.09 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 mt -136.04 110.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -95.31 159.84 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 56.89 44.79 22.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -48.19 162.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.616 ' HA ' HG23 ' A' ' 22' ' ' VAL . 10.4 ptm180 -156.81 143.68 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' ARG . 48.5 mm -34.67 -35.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ARG . 47.1 t -61.48 -50.6 72.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' ARG . 15.5 m-20 -38.07 -43.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' ASP . 95.7 m -35.28 97.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -153.13 176.79 31.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.8 m -98.76 116.49 31.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.168 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.479 ' CE1' ' CE2' ' A' ' 49' ' ' PHE . 65.6 m-85 -92.88 152.42 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.0 m -138.13 110.69 7.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.68 101.16 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.67 134.27 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.674 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -125.56 95.77 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -84.91 155.97 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 p -172.26 148.95 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' SER . 2.0 m -34.98 -44.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.9 m -58.31 -62.83 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.9 -146.65 4.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -150.76 140.87 22.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 t -135.91 157.0 47.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.3 p -142.14 163.05 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -132.63 165.69 23.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.9 p -118.47 138.46 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 15' ' ' PRO . . . -166.38 165.0 17.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.2 t -150.2 146.47 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 tp -118.83 95.58 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.75 110.64 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.15 122.59 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 p -115.65 157.02 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.42 -39.96 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.6 t -114.46 43.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -71.51 124.21 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -48.58 148.42 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.92 -138.88 2.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -64.19 -59.91 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.856 0.36 . . . . 0.0 110.819 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 m -84.4 155.37 22.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.65 -165.03 10.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' O ' HD12 ' A' ' 10' ' ' ILE . 53.7 Cg_endo -69.77 165.88 29.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.392 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 87' ' ' GLU . 54.5 Cg_endo -69.73 125.41 12.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 8' ' ' PRO . 4.8 mp -101.75 138.56 25.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' ILE . 29.8 mt -93.85 86.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' ILE . 48.6 mt -35.45 -38.9 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -167.21 107.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.25 -162.75 37.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.69 ' HB3' HD12 ' A' ' 28' ' ' LEU . 53.5 Cg_endo -69.81 177.34 5.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.54 143.71 18.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -52.36 114.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -127.22 147.73 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -119.81 103.11 9.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.4 mt -109.61 -176.35 2.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.7 155.4 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' HA ' ' A' ' 70' ' ' ARG . 7.5 p -68.9 148.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.84 50.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.01 -128.43 2.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.423 HG22 HD12 ' A' ' 27' ' ' LEU . 8.4 m -147.52 131.32 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 111.142 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -124.98 113.63 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.49 ' O ' HD22 ' A' ' 28' ' ' LEU . 2.8 mp -107.74 143.44 36.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.989 HD11 ' CE1' ' A' ' 77' ' ' TYR . 2.1 mm? -119.05 107.27 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -77.28 133.68 38.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.07 131.84 12.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -143.85 127.0 16.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.78 147.87 46.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 t -115.38 149.45 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.73 166.0 19.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.457 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 14.6 t70 -139.31 122.78 10.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.75 165.15 77.36 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.335 0.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.7 131.43 27.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.962 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.6 Cg_endo -69.8 153.15 69.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.42 90.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 81' ' ' ALA . 15.1 mm -62.05 110.19 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.1 m -124.96 173.59 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 28' ' ' LEU . 67.9 m95 -138.35 135.22 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -120.06 107.89 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -84.31 102.96 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 61.54 34.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.9 44.85 29.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -155.79 146.6 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -42.9 132.33 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.169 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.551 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 58.6 t80 -166.52 139.74 3.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.7 Cg_endo -69.74 -45.49 0.42 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.318 -0.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.46 -128.48 9.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.33 -36.86 58.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -37.48 105.69 0.32 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -24.37 29.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.07 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -111.01 139.66 46.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -146.81 159.83 43.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.5 HG23 ' C ' ' A' ' 63' ' ' THR . 5.3 mt -123.56 124.2 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -62.47 -179.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -72.29 1.26 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -113.8 32.65 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.48 18.65 7.66 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.5 ' C ' HG23 ' A' ' 58' ' ' ILE . 98.0 m -86.54 100.37 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD21 ' HE1' ' A' ' 49' ' ' PHE . 4.3 tp -75.9 137.32 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -133.28 138.48 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.5 mt -133.04 124.15 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -105.21 162.24 13.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 57.66 44.66 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 26' ' ' ALA . 30.7 mt -48.68 165.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.633 ' HA ' HG23 ' A' ' 22' ' ' VAL . 18.6 ptt180 -157.1 138.84 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 28.4 mm -35.65 -31.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.0 t -68.79 -46.76 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ARG . 44.2 m-20 -42.69 -36.11 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -37.44 101.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.11 -175.73 22.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.927 HG23 ' O ' ' A' ' 92' ' ' ALA . 97.8 m -111.86 104.92 13.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.989 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -87.51 142.66 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.914 HG23 ' O ' ' A' ' 90' ' ' TRP . 73.1 m -125.98 112.37 15.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 22.7 t -84.42 99.76 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.3 137.82 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.962 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -123.57 93.55 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -82.6 154.38 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -168.73 148.29 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -40.44 -37.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 m -64.66 -68.54 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.818 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -147.35 -143.96 3.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 7.5 tm-20 -167.63 147.03 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.7 t -148.48 148.47 30.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.8 p -135.95 141.98 44.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.914 ' O ' HG23 ' A' ' 78' ' ' THR . 16.0 t-105 -107.98 169.68 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.1 m -129.3 145.78 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.927 ' O ' HG23 ' A' ' 76' ' ' THR . . . -174.76 171.87 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.67 143.67 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tp -115.15 115.98 27.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.0 106.59 18.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.5 t -92.37 118.56 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.9 p -111.5 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' HA ' HG12 ' A' ' 22' ' ' VAL . 37.7 mt-10 -92.45 -26.72 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -126.08 26.78 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -69.34 128.94 38.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -123.7 140.25 53.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 87.79 -103.21 2.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 98.1 p 35.49 43.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t -69.24 166.21 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.59 179.45 15.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 169.58 18.61 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 115.04 3.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -101.48 144.59 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 33.3 mt -95.79 93.21 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.6 mt -47.26 -50.8 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -133.6 90.94 2.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.97 -171.96 47.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.5 Cg_endo -69.79 151.4 68.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.92 171.88 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -82.2 105.83 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' NE2' HD13 ' A' ' 28' ' ' LEU . 14.5 pt20 -120.25 143.18 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.3 m -113.2 97.85 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.4 mt -101.27 -175.24 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.93 130.37 56.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.531 HG22 ' N ' ' A' ' 23' ' ' ASP . 7.3 p -40.63 160.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.531 ' N ' HG22 ' A' ' 22' ' ' VAL . 21.0 t70 60.14 37.14 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.44 -136.04 4.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.434 HG22 ' CD2' ' A' ' 27' ' ' LEU . 17.4 m -148.9 117.07 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 111.162 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' C ' HD22 ' A' ' 27' ' ' LEU . . . -101.44 122.58 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 ' C ' ' A' ' 26' ' ' ALA . 3.3 mm? -109.66 108.55 18.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 3.0 mm? -94.65 106.42 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -79.95 122.69 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.9 t -144.29 115.16 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -128.54 133.04 48.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.02 140.27 48.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 t -109.21 149.48 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.65 153.89 6.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.451 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.1 m-20 -126.34 122.01 23.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.4 Cg_endo -69.78 158.41 91.11 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.349 0.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.744 HD12 ' HD2' ' A' ' 38' ' ' PRO . 4.3 tp -53.9 138.6 54.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD2' HD12 ' A' ' 37' ' ' LEU . 53.7 Cg_endo -69.74 163.78 36.97 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 39' ' ' VAL . 71.7 t -101.44 82.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -43.08 135.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.151 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -146.14 176.4 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.692 ' CG ' HD12 ' A' ' 64' ' ' LEU . 98.6 m95 -143.54 130.85 20.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -120.13 119.07 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 42.8 tttt -91.73 107.37 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 51.31 40.9 27.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.26 33.84 52.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -140.5 153.61 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.968 0.413 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 t -51.67 141.64 16.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' HA ' ' C ' ' A' ' 50' ' ' PRO . 21.9 t80 -169.82 137.93 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.743 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.83 -32.78 3.73 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 -1.814 . . . . 0.0 112.325 0.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.53 -111.13 2.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -78.82 44.84 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 17.7 m-20 -133.22 102.34 13.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 53' ' ' ASP . 53.2 Cg_endo -69.82 -47.51 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.643 2.229 . . . . 0.0 112.347 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 -47.09 -48.4 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 160.76 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.5 t -173.52 160.16 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.437 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 5.1 mp -114.93 125.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -78.98 167.96 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -46.73 -40.51 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -84.43 40.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 58' ' ' ILE . . . 39.19 52.56 2.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 m -109.67 107.25 17.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.692 HD12 ' CG ' ' A' ' 42' ' ' TRP . 0.6 OUTLIER -77.82 108.7 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -108.8 122.61 47.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.13 124.1 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -101.51 157.49 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 57.78 49.6 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -52.79 164.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.529 ' HA ' HG23 ' A' ' 22' ' ' VAL . 59.1 mtp180 -150.53 151.65 32.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.4 mm -50.41 -30.85 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.8 t -69.17 -40.8 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' THR . 9.0 m-20 -46.55 -38.7 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ASP . 87.6 m -36.19 127.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.515 ' O ' HG13 ' A' ' 93' ' ' VAL . . . 178.28 -152.39 11.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 92' ' ' ALA . 83.2 m -127.86 119.49 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 111.177 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -96.64 129.36 44.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.0 m -117.69 102.57 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.18 117.86 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 88' ' ' THR . 21.6 t -113.93 122.79 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -109.06 94.64 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' CB ' ' A' ' 87' ' ' GLU . 25.7 m -84.92 152.12 23.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.3 p -168.19 175.93 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.9 t -65.28 -31.77 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.6 m -86.54 10.82 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.73 -170.7 13.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -138.82 172.36 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.74 ' O ' HG13 ' A' ' 80' ' ' VAL . 15.4 t -146.42 -179.01 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.0 p -154.46 154.81 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.6 t-105 -128.67 171.27 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.2 p -126.16 137.36 53.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 76' ' ' THR . . . -169.59 150.58 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 75' ' ' GLY . 88.7 t -133.61 130.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -104.34 95.79 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.5 108.11 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.0 t -96.02 112.56 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.4 p -108.35 167.24 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.37 -49.16 9.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.1 m -101.69 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 t -119.24 121.52 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -163.94 171.18 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.88 -131.82 1.98 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -119.52 38.94 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -54.76 -57.81 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.44 143.71 4.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 163.48 38.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 121.53 8.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.8 mt -112.48 127.09 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 11' ' ' ILE . 97.3 mt -81.65 84.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.84 -54.79 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -130.0 94.23 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.03 -172.85 43.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 90' ' ' TRP . 53.4 Cg_endo -69.73 -177.87 2.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.64 167.21 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.548 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -72.64 109.72 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' NE2' ' CD2' ' A' ' 28' ' ' LEU . 11.1 pt20 -126.34 140.44 52.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -104.91 94.8 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 94' ' ' LEU . 44.4 mt -102.46 -177.83 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.957 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.39 167.18 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -87.95 151.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t0 66.42 48.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.18 -127.19 2.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 HD22 ' A' ' 27' ' ' LEU . 4.8 m -151.5 110.68 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 111.148 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.28 101.43 13.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD22 HG22 ' A' ' 25' ' ' THR . 4.0 mm? -87.35 104.8 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.552 ' CD2' ' NE2' ' A' ' 18' ' ' GLN . 45.9 mt -91.2 122.43 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.97 128.02 34.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.9 t -153.71 109.41 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -128.11 133.9 49.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.42 150.01 52.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -116.21 148.53 40.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.48 142.4 3.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.4 t70 -112.57 122.6 35.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.78 169.78 61.75 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.313 0.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.92 133.83 92.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.746 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.8 Cg_endo -69.78 152.02 69.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -90.36 96.26 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.507 HG21 ' HA3' ' A' ' 62' ' ' GLY . 38.1 mm -57.15 114.37 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -117.89 -176.08 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CD2' HD12 ' A' ' 64' ' ' LEU . 97.1 m95 -155.27 129.6 8.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.95 116.75 26.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -90.49 107.73 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 50.58 45.15 27.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.73 38.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -158.86 145.64 17.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.949 0.404 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -43.52 137.32 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' ' 64' ' ' LEU . 32.5 t80 -165.13 138.04 3.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.4 Cg_endo -69.8 -35.76 2.58 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.352 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.68 -103.95 0.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.01 79.12 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -153.22 113.0 2.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -23.11 31.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -85.75 -41.52 15.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 50' ' ' PRO . . . -78.83 151.97 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 t -173.84 156.82 2.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.452 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 45.8 mt -113.36 141.38 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.418 ' O ' HG22 ' A' ' 58' ' ' ILE . 8.9 mm-40 -82.89 172.67 12.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -53.65 -38.58 64.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -78.5 -42.97 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.507 ' HA3' HG21 ' A' ' 40' ' ' ILE . . . 135.6 29.66 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.516 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.3 m -86.66 116.1 24.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.572 HD11 ' HE1' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -83.73 113.7 21.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -113.71 110.41 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.567 HG13 HD22 ' A' ' 64' ' ' LEU . 12.7 mt -110.38 113.37 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -93.0 159.74 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 61.55 43.93 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.83 145.9 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -134.14 148.26 50.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.407 HD11 ' HG2' ' A' ' 98' ' ' GLU . 37.7 mm -46.37 -21.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -79.04 -38.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -46.67 -36.12 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -39.54 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.88 -177.36 29.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 92' ' ' ALA . 20.7 m -96.74 110.09 22.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 111.148 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -89.51 116.97 28.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 90' ' ' TRP . 27.3 m -106.87 113.58 27.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.1 t -90.15 114.74 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.93 135.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.746 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -117.94 95.48 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -84.6 147.19 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 p -171.95 148.75 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 m -42.81 -38.63 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.1 p -61.31 -56.65 18.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.93 -146.06 4.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.29 131.91 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 t -131.61 161.9 31.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.18 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.6 p -142.86 148.71 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.66 ' O ' HG23 ' A' ' 78' ' ' THR . 11.8 t-105 -114.73 165.83 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m -122.52 140.8 52.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 76' ' ' THR . . . -170.4 161.85 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 93' ' ' VAL . 12.8 p -145.97 122.1 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.445 HD11 HD12 ' A' ' 20' ' ' LEU . 6.7 tp -92.34 126.45 37.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.57 91.6 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.3 t -80.36 122.13 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.7 p -114.28 164.12 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG2' HD11 ' A' ' 71' ' ' ILE . 24.8 mt-10 -75.18 -32.06 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' GLY . 3.3 m -99.99 -54.43 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -62.59 -49.52 74.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -76.96 140.8 40.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.4 -107.7 1.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -53.52 143.53 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -50.87 118.31 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.5 -157.84 11.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.06 22.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.377 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 139.9 41.37 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.1 mt -135.19 124.27 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.21 95.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.89 -41.58 46.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -153.05 106.22 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.1 -171.19 44.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 53.2 Cg_endo -69.81 -173.27 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.276 . . . . 0.0 112.359 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.4 161.6 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -66.46 105.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.71 138.82 52.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 m -104.5 94.92 5.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.068 HD12 HD11 ' A' ' 94' ' ' LEU . 41.2 mt -94.38 -178.37 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -122.42 131.74 54.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 96' ' ' VAL . 52.6 t -33.73 143.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 60.61 48.95 6.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.5 -127.04 3.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.509 HG22 HD21 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -156.16 113.6 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.13 105.25 17.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.509 HD21 HG22 ' A' ' 25' ' ' THR . 3.6 mm? -104.64 87.39 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.66 114.53 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.37 147.65 27.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 t -161.87 110.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -121.38 128.16 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.39 135.01 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -109.34 139.99 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.8 174.0 38.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 12.9 t70 -142.92 122.32 7.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.9 Cg_endo -69.69 169.11 64.66 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.356 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.86 130.6 66.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.938 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.73 151.25 69.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.4 t -98.06 87.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.41 HG23 ' SG ' ' A' ' 79' ' ' CYS . 36.8 mm -47.37 132.03 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -147.35 138.76 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.455 ' CZ3' ' HB2' ' A' ' 79' ' ' CYS . 57.0 m95 -108.98 139.23 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 mt -126.08 118.08 24.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -85.81 99.01 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.59 34.33 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 46.91 6.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -154.64 146.6 23.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -51.92 136.72 28.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.551 ' HE1' HD11 ' A' ' 64' ' ' LEU . 9.7 t80 -165.95 139.7 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' PHE . 53.5 Cg_endo -69.77 -44.26 0.53 Allowed 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.321 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.28 -108.47 3.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ASP . 2.3 tmt_? -88.63 -42.29 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' ARG . 3.0 m-20 -36.38 113.73 0.58 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -43.44 -36.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.01 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.2 t -134.31 158.78 42.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.76 122.61 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -64.3 162.23 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -50.85 -18.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 63' ' ' THR . 12.4 mm100 -103.65 48.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 39.32 25.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.3 m -85.34 94.79 9.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.651 HD21 HD11 ' A' ' 66' ' ' ILE . 4.4 tp -69.76 111.85 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -111.97 117.73 33.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.651 HD11 HD21 ' A' ' 64' ' ' LEU . 18.6 mt -117.72 118.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -95.47 159.83 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 57.29 45.91 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -52.3 158.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ASP . 25.5 mtt180 -145.51 142.94 29.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.552 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 47.2 mm -38.83 -37.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 t -63.72 -42.66 97.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' ARG . 2.7 m-20 -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.4 m -49.3 132.05 20.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.95 -161.69 27.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.6 m -116.82 93.44 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 147.4 50.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 90' ' ' TRP . 34.9 m -133.94 100.96 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 16.3 t -82.13 101.62 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.87 142.23 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -120.85 99.48 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -83.68 149.28 26.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' SER . 1.9 t -173.01 140.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' SER . 30.3 t -36.78 -40.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t -60.58 -65.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.04 -148.03 4.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -165.25 144.66 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.957 0.408 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 t -146.92 136.09 22.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 p -117.72 156.95 27.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.54 ' O ' HG23 ' A' ' 78' ' ' THR . 13.7 t-105 -120.45 175.95 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.8 p -136.96 131.39 32.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.57 179.76 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 94' ' ' LEU . 91.1 t -149.92 152.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.068 HD11 HD12 ' A' ' 20' ' ' LEU . 49.4 tp -128.49 95.86 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.13 106.0 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.6 HG12 HG23 ' A' ' 22' ' ' VAL . 98.0 t -95.89 131.61 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.415 ' OG1' ' CA ' ' A' ' 100' ' ' GLY . 64.4 p -117.75 128.5 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.03 -46.2 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -129.81 54.09 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.415 ' CA ' ' OG1' ' A' ' 97' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -126.48 85.15 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -105.59 172.56 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.13 99.23 0.9 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 62.4 p -130.78 123.26 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.6 m -37.25 116.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.63 171.39 43.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 169.2 19.45 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.02 36.93 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -118.31 139.49 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -93.62 88.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt -38.89 -44.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -152.77 106.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.64 -164.94 35.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -172.5 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.78 159.57 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -62.0 105.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -115.58 149.44 38.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.2 m -116.75 98.91 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.439 HD12 HD11 ' A' ' 94' ' ' LEU . 26.7 mt -104.41 178.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -119.88 132.23 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.753 HG23 HG12 ' A' ' 96' ' ' VAL . 3.2 t -35.3 153.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 79.8 m-20 58.22 40.23 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.55 -132.29 4.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -155.72 117.03 3.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.09 116.25 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.8 mm? -110.8 84.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.613 HD21 ' CD2' ' A' ' 77' ' ' TYR . 6.2 mp -77.72 122.86 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -96.98 132.57 42.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.9 t -156.6 112.56 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -126.66 127.23 44.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.97 152.45 42.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -125.26 156.44 38.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.56 162.97 11.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.43 118.45 21.59 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.639 0.733 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.05 38.26 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.349 0.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 38' ' ' PRO . 1.6 tt -69.12 135.2 89.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.3 Cg_endo -69.8 152.76 69.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 39' ' ' VAL . 99.1 t -96.47 80.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' VAL . 44.4 mm -37.06 147.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 m -161.78 161.24 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.815 ' CG ' HD12 ' A' ' 64' ' ' LEU . 83.4 m95 -131.23 132.74 44.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.5 mt -120.91 128.98 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -99.03 97.9 8.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 61.78 40.02 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.6 40.66 31.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -148.69 153.74 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -55.86 135.77 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 50' ' ' PRO . 74.8 t80 -167.46 137.28 2.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.572 ' HA ' ' CD1' ' A' ' 49' ' ' PHE . 53.6 Cg_endo -69.76 -21.94 9.92 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.66 -104.36 2.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -126.04 46.87 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -106.68 123.2 39.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.74 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -26.58 27.14 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -43.74 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 160.68 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.5 t -163.9 175.91 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.7 mt -131.45 133.12 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -81.0 -177.2 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.92 -40.06 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -88.83 48.46 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 37.77 39.54 0.62 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -93.13 97.7 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.327 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.815 HD12 ' CG ' ' A' ' 42' ' ' TRP . 2.9 tt -67.76 117.05 9.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -117.7 117.89 30.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.477 HD11 HD22 ' A' ' 64' ' ' LEU . 6.5 mt -119.13 127.84 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -105.58 157.5 17.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 65.67 38.32 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.1 mt -39.47 153.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 73' ' ' ASP . 17.1 mtp85 -144.75 141.15 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.794 HD11 ' HG3' ' A' ' 98' ' ' GLU . 33.8 mm -39.44 -36.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.5 m -65.4 -42.98 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' ARG . 4.1 m-20 -43.5 -35.38 1.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 94' ' ' LEU . 93.8 m -47.37 109.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.94 -167.78 18.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 92' ' ' ALA . 92.8 m -105.11 96.01 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.613 ' CD2' HD21 ' A' ' 28' ' ' LEU . 67.2 m-85 -68.49 141.19 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 84.8 m -134.1 110.38 9.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 8.4 t -87.05 111.47 20.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.13 128.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -120.31 92.26 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.1 m -82.05 145.12 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.2 p -160.45 151.02 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.1 m -38.4 -37.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 p -65.09 -64.72 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.3 -148.88 5.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -150.95 135.33 16.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 t -132.11 141.93 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -126.08 147.98 49.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 13.1 t-105 -109.28 177.94 4.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.9 p -135.7 134.84 39.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' THR . . . -163.51 -179.68 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.53 146.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 74' ' ' THR . 10.7 tp -114.68 124.46 51.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.79 94.63 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.753 HG12 HG23 ' A' ' 22' ' ' VAL . 92.1 t -90.46 122.19 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.9 p -118.3 127.53 53.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.794 ' HG3' HD11 ' A' ' 71' ' ' ILE . 50.7 mt-10 -48.39 -36.23 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.3 t -123.35 56.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.502 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -85.15 131.43 34.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -143.37 111.31 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 -117.88 2.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -125.81 8.74 7.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -171.57 109.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.15 -156.86 9.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 169.94 17.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 138.44 37.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.8 mt -132.61 135.86 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.42 ' HB ' ' CE3' ' A' ' 90' ' ' TRP . 38.1 mt -90.9 88.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.88 -58.74 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -125.69 89.25 3.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.84 -159.65 24.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HD2' ' CD1' ' A' ' 90' ' ' TRP . 54.2 Cg_endo -69.81 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 152.77 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -70.89 105.22 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -116.18 142.19 47.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -107.72 95.32 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 94' ' ' LEU . 14.4 mt -99.63 -175.77 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.52 136.16 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.62 148.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t70 69.46 36.77 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.35 -139.19 5.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.744 HG23 ' CD ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -146.95 120.1 8.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.09 112.87 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 103.01 12.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD13 HD22 ' A' ' 64' ' ' LEU . 5.1 mp -94.49 104.82 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -83.19 141.57 31.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 t -155.17 106.72 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -109.19 119.54 39.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 40' ' ' ILE . . . -123.26 139.51 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -117.54 143.42 46.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.23 -173.27 41.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.5 p-10 -156.96 127.15 3.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.599 0.714 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 35' ' ' ASP . 53.8 Cg_endo -69.74 154.02 93.09 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.36 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -35.54 119.26 0.64 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.962 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.4 Cg_endo -69.82 143.21 49.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.343 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.78 110.37 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.521 HG23 ' SG ' ' A' ' 79' ' ' CYS . 26.1 mm -69.98 133.59 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 m -139.76 138.63 36.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.654 ' CD1' HD12 ' A' ' 64' ' ' LEU . 66.4 m95 -110.93 124.46 52.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.7 mt -111.94 122.19 47.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -91.15 103.0 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 57.45 40.26 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.06 49.56 21.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -159.84 149.9 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.412 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.6 t -47.71 140.04 6.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 56.8 t80 -172.12 139.87 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 49' ' ' PHE . 54.0 Cg_endo -69.75 -37.29 2.03 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.332 -0.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.11 -112.23 3.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -115.27 7.96 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.94 122.66 88.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -32.96 17.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.619 2.213 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' NH2' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -53.16 -46.28 68.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.63 147.03 26.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.641 HG23 HE21 ' A' ' 59' ' ' GLN . 14.1 t -153.87 167.28 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt -114.5 135.88 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.641 HE21 HG23 ' A' ' 57' ' ' THR . 5.5 mp0 -116.59 159.92 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 43.62 25.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 57.87 45.06 19.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.35 -55.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.7 m -58.7 88.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 42' ' ' TRP . 4.8 tt -72.48 145.65 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.506 ' N ' HD23 ' A' ' 64' ' ' LEU . 46.2 tt0 -134.93 131.68 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.437 HG13 ' CD2' ' A' ' 64' ' ' LEU . 9.9 mt -136.62 121.9 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.744 ' CD ' HG23 ' A' ' 25' ' ' THR . 2.2 mmmm -104.97 -176.77 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m120 41.58 34.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.77 165.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -147.01 153.24 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.1 mm -52.27 -16.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.0 t -85.18 -45.22 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -41.11 -35.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.6 m -40.15 100.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.86 -174.05 17.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.524 ' O ' HG22 ' A' ' 76' ' ' THR . 5.6 m -111.69 92.72 4.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.797 0.332 . . . . 0.0 111.149 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -67.35 166.41 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.1 m -145.69 107.27 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.521 ' SG ' HG23 ' A' ' 40' ' ' ILE . 6.0 t -84.97 103.73 14.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.5 134.76 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.962 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -115.36 111.65 21.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -98.67 145.9 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 p -160.39 -178.63 7.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -73.1 -20.11 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.7 m -80.51 -54.33 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.47 -135.2 1.86 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -168.28 149.32 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.4 t -148.87 130.04 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.3 p -107.86 162.38 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.476 ' CD1' ' HD2' ' A' ' 15' ' ' PRO . 10.5 t-105 -130.18 176.59 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.0 p -129.91 142.85 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.84 151.97 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.3 p -141.07 133.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 20' ' ' LEU . 33.8 tp -103.98 106.64 17.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -89.73 103.6 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.2 t -100.03 118.74 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -117.34 166.7 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -73.44 -35.36 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -117.27 38.69 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.563 -179.972 . . . . . . . . 0 0 . 1 stop_ save_