data_2dad_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 2dad _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 ' 8' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.55 HG23 ' CE3' ' A' ' 47' ' ' TRP . 18.3 tt -127.31 143.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.796 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t60 -122.56 109.38 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.406 HD11 ' CG2' ' A' ' 37' ' ' THR . 2.5 mm? -96.92 147.53 23.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.796 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 57.6 m-85 -134.09 116.86 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 t -46.28 -48.34 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.412 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 34.2 mm-40 -95.65 158.16 34.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 163.83 36.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 62.7 33.27 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.468 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 m-85 53.53 45.2 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.412 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 60.7 mt-30 -117.89 178.38 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.57 -143.6 45.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -68.4 154.06 42.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.758 0.313 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -141.79 145.48 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.426 ' CD ' ' CE2' ' A' ' 35' ' ' PHE . 33.1 mt-30 -149.56 122.67 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -107.71 141.3 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -128.29 117.98 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.14 -30.53 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.12 169.78 8.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.1 m -61.78 119.77 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.9 m -99.55 152.41 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -116.84 -32.09 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -134.27 135.24 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.5 mm -89.58 146.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.03 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.99 32.04 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 p 46.89 38.24 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.29 118.05 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 p -53.1 162.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.406 ' CG2' HD11 ' A' ' 11' ' ' LEU . 51.5 m -145.44 115.01 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -89.33 -38.23 14.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -125.52 154.02 42.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -143.6 168.89 18.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -140.29 108.62 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 43' ' ' SER . 41.6 t -89.41 142.28 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.458 ' N ' HG11 ' A' ' 42' ' ' VAL . 1.5 m -154.56 106.83 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.93 82.3 0.92 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.12 161.48 37.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.4 m -83.58 165.39 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CE3' HG23 ' A' ' 9' ' ' ILE . 43.8 m95 -138.38 130.13 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 50' ' ' TYR . 80.1 t -102.44 131.09 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 m -116.47 118.72 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' HG11 ' A' ' 48' ' ' VAL . 2.1 m-85 -103.52 130.22 50.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.04 -16.4 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.98 163.83 12.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.426 ' HG3' ' CD ' ' A' ' 82' ' ' LYS . 37.1 mt-10 -79.94 157.15 26.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 62.29 35.68 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.27 43.11 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -107.87 164.45 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 -145.21 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -83.03 152.15 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -126.44 134.94 50.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -130.26 107.24 9.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.4 m -74.22 166.72 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -142.87 123.64 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.99 173.09 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.81 118.22 16.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.65 -164.86 38.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -119.17 114.78 22.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -102.53 102.02 23.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -30.74 21.75 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.6 p -136.04 176.5 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 73' ' ' MET . 14.1 mt -77.06 -50.37 13.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.1 t -36.58 -55.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.28 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' LEU . 25.2 mtp -75.79 -30.03 58.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -32.93 5.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.2 m -52.21 143.84 24.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.03 43.64 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.728 2.285 . . . . 0.0 112.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 89.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.34 44.9 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.6 143.8 32.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.077 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.5 m -128.72 113.1 14.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.87 134.8 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.426 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 73.8 mttt -113.3 -31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 p -132.02 157.05 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -134.8 152.84 52.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -140.51 104.67 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.463 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 3.1 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 19.1 tt -101.71 144.92 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.51 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t60 -127.54 110.39 12.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.8 mm? -96.93 151.48 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.51 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 79.0 m-85 -134.15 112.97 11.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.0 t -43.24 -50.41 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.407 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 10.8 mt-10 -94.8 158.45 35.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 164.7 33.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 60.99 32.67 19.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.459 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 54.65 45.88 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 31.3 mt-30 -117.47 178.21 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.04 -154.24 44.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -59.42 148.72 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 p -138.06 141.8 40.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 81.0 mt-30 -144.67 126.87 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p -111.27 147.9 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -130.18 133.64 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -103.5 -33.56 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.08 165.34 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.2 m -55.84 112.49 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.2 m -89.62 149.72 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.3 p -117.93 -30.34 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -137.58 131.25 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.1 mm -86.18 145.33 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 31' ' ' ILE . 4.4 m-20 -52.02 102.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 56.03 32.0 19.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 p 45.42 38.08 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -56.01 118.1 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 p -52.48 162.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 HG22 ' CD1' ' A' ' 11' ' ' LEU . 29.0 m -147.47 116.5 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -90.38 -29.87 17.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -133.48 153.86 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.45 172.65 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -143.99 113.11 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.77 135.31 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -149.86 106.15 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.97 84.83 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.59 162.27 37.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.0 m -82.37 163.82 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.8 m95 -139.33 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.516 HG11 ' CZ ' ' A' ' 50' ' ' TYR . 12.9 t -100.46 130.06 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 m -115.17 121.34 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.516 ' CZ ' HG11 ' A' ' 48' ' ' VAL . 24.6 m-85 -103.04 142.12 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.54 -12.53 59.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.07 166.92 12.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.94 150.99 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 66.47 39.15 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 55.06 42.39 30.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -106.9 169.09 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.34 -163.76 50.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -70.33 143.39 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -116.23 142.05 47.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -134.95 104.46 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 m -69.15 161.5 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -142.54 122.91 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -81.66 164.27 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.05 124.94 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.54 -171.45 40.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.39 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 97.5 m-85 -100.05 102.0 16.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.682 0.753 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -29.7 23.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.29 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.18 170.53 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' MET . 51.4 mt -67.13 -48.19 68.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.2 t -38.04 -60.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -37.49 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.452 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 25.3 mtp -75.28 -27.5 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.15 -33.97 5.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 56.4 m -55.46 151.65 19.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.09 54.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 84.81 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.07 42.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.68 162.08 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.1 m -141.02 124.24 16.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -87.9 135.57 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -110.92 -32.82 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.0 p -135.8 168.03 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mt -142.32 157.96 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.6 ttt85 -145.27 104.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.566 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 3.3 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.706 0.288 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 tt -111.58 137.17 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.575 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.2 t60 -121.96 107.76 12.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.503 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.3 mm? -94.97 151.43 19.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 33.1 m-85 -134.5 118.11 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.8 p -49.57 -35.09 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -109.58 157.77 36.53 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.634 0.731 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 62.35 34.45 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.499 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.7 m-85 52.1 44.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -113.64 178.19 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -156.99 30.52 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -61.99 144.23 55.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.814 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.0 p -136.49 143.75 43.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -141.19 135.19 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -117.75 149.16 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 70.5 m-85 -133.26 138.74 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -109.03 -28.12 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -109.86 163.25 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 m -59.1 102.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 29' ' ' SER . 85.5 m -87.81 146.61 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.459 ' N ' HG22 ' A' ' 28' ' ' THR . 28.2 t -117.9 -23.63 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -131.86 137.96 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 20.1 mm -100.46 146.25 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.0 102.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.6 t0 56.5 32.05 20.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 p 46.09 38.02 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -57.92 116.88 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 73.8 m -57.24 162.47 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.6 m -142.07 117.96 10.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -88.3 -27.5 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 p -138.26 153.94 49.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 p -144.95 167.89 21.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -139.5 111.43 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 85.9 t -99.31 140.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.5 114.16 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.73 58.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 106.65 159.34 21.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.6 m -79.77 165.22 23.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.478 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 30.2 m95 -141.65 134.16 28.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 50' ' ' TYR . 97.0 t -104.08 137.18 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.559 HG23 ' CE1' ' A' ' 81' ' ' PHE . 4.5 m -122.6 120.57 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CZ ' HG11 ' A' ' 48' ' ' VAL . 3.0 m-85 -100.18 135.94 40.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -69.98 -15.68 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.66 168.98 14.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -85.25 153.82 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.459 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 28.8 m-80 64.93 34.15 9.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER 55.54 45.95 23.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.1 p -105.41 176.74 5.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.33 -143.12 38.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -85.3 163.25 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -131.59 137.2 48.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -130.93 117.66 19.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.436 HG12 ' CG2' ' A' ' 48' ' ' VAL . 10.7 m -82.77 166.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.0 mt -141.85 124.62 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -72.76 162.92 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.73 120.71 15.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.6 -174.86 36.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.522 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -103.49 121.46 42.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.71 102.03 48.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -28.72 24.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 p -138.02 175.44 9.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.61 -47.89 29.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -39.28 -57.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.81 -37.86 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 mtp -74.76 -29.68 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.61 -34.39 5.16 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 64.8 m -52.1 149.41 9.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.8 33.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 86.51 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.51 41.39 0.36 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.74 123.96 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 51.9 m -108.46 118.57 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CE1' HG23 ' A' ' 49' ' ' VAL . 3.8 m-85 -80.94 137.76 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -117.9 -27.44 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -141.96 145.18 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.591 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 2.3 mt -119.13 161.03 21.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -148.09 109.19 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.478 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.8 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 13.4 tt -116.43 141.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.585 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -126.64 109.22 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -97.27 152.46 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 38.4 m-85 -134.74 116.38 14.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 t -45.7 -49.54 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.62 157.17 35.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.07 28.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 62.52 31.94 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 52.13 43.44 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -117.01 178.36 4.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.39 48.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -59.55 153.26 20.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.2 p -139.15 139.58 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -142.18 119.95 11.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -108.77 143.52 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.403 ' CD2' ' OG1' ' A' ' 28' ' ' THR . 84.3 m-85 -128.66 107.86 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.65 -33.91 64.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.17 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 28' ' ' THR . 31.3 m -57.01 143.74 36.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 27' ' ' THR . 55.3 m -121.77 148.58 44.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.6 p -114.97 -31.15 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -138.74 120.15 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 48.9 mm -71.77 144.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.452 ' N ' HG21 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -51.96 102.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t0 56.68 31.99 20.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 p 46.15 34.94 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.5 p90 -55.25 116.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.471 ' HG ' ' N ' ' A' ' 37' ' ' THR . 29.8 t -53.28 163.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 36' ' ' SER . 70.2 m -150.24 126.42 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -98.57 -29.58 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -130.77 155.39 46.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 p -147.05 169.7 18.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -141.09 114.96 9.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 43' ' ' SER . 90.5 t -101.53 138.56 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.47 ' N ' HG13 ' A' ' 42' ' ' VAL . 5.1 t -156.79 111.09 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.75 56.92 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.2 161.08 21.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.7 m -80.76 165.43 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.539 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 37.0 m95 -139.85 129.79 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' CG1' ' CZ ' ' A' ' 50' ' ' TYR . 3.5 t -95.02 123.9 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 m -112.39 113.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 4.2 m-85 -101.74 143.7 31.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -86.78 17.21 4.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.72 151.04 22.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -65.84 150.52 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 62.45 35.19 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 53.41 41.67 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.2 p -97.79 172.44 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.19 -128.07 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -100.52 166.11 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.519 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 pt20 -137.18 140.53 41.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -137.22 119.5 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.61 151.65 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -127.77 122.77 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.44 175.88 8.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.64 118.83 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.38 155.34 7.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.433 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -81.96 105.67 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -93.12 106.47 19.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.729 0.776 . . . . 0.0 110.944 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -32.82 17.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -137.9 172.75 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 73' ' ' MET . 46.5 mt -70.23 -45.24 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -37.8 -53.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.08 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' LEU . 28.8 mtp -75.29 -29.61 60.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.82 -34.4 5.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 23.1 m -52.64 154.21 4.92 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.77 20.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 111.67 2.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.29 43.01 5.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.55 139.03 30.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -118.96 108.38 14.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.76 140.37 47.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.418 ' C ' HG12 ' A' ' 31' ' ' ILE . 26.0 mttt -117.48 -34.94 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -133.85 148.8 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -124.51 155.47 38.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -142.32 106.06 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.55 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 17.1 tt -119.36 144.87 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.794 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 6.7 t60 -136.34 118.64 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -103.2 153.04 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.794 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 98.9 m-85 -131.95 112.58 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -42.28 -49.7 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 15.8 mt-10 -96.73 156.84 36.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 163.3 38.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 64.79 32.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.423 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 4.1 m-85 54.54 46.61 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 92.0 mm-40 -121.67 177.64 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.34 -161.05 48.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -52.89 155.63 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -136.58 140.0 42.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -146.91 120.07 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.1 p -110.26 151.52 27.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.522 ' CE1' HD13 ' A' ' 84' ' ' LEU . 34.0 m-85 -130.67 138.08 49.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -104.6 -32.22 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -118.42 169.16 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.6 m -56.57 112.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 29' ' ' SER . 60.7 m -93.26 149.24 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.424 ' N ' HG21 ' A' ' 28' ' ' THR . 49.1 p -117.75 -25.99 6.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 143.4 50.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.42 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 43.4 mm -107.4 154.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.05 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.75 31.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.0 p 56.59 35.89 26.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -54.78 116.22 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -56.54 153.37 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.544 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 50.6 m -134.99 127.61 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -126.89 153.87 45.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 p -144.2 171.95 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -142.44 110.42 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 98.7 t -100.21 135.88 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -157.92 109.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 35.96 4.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.485 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 124.35 163.8 11.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -80.93 164.99 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 34.0 m95 -142.5 130.34 21.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.523 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 25.9 t -101.97 128.8 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 m -115.24 118.41 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.523 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 1.5 m-85 -100.8 138.2 38.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -14.25 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.3 163.02 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.56 151.31 36.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 65.1 38.38 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 53.31 42.37 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.6 p -102.25 174.92 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.93 -150.74 48.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -79.43 148.63 31.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.455 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 5.0 pp0? -121.17 142.24 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.81 115.2 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.7 m -82.29 163.95 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 mt -139.05 123.97 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.66 168.55 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.44 116.68 6.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.14 158.75 9.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -85.81 111.73 20.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -97.94 102.06 12.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -31.57 20.48 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.41 174.0 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 73' ' ' MET . 19.2 mt -74.01 -49.08 26.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 74' ' ' GLY . 6.4 t -38.16 -61.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.2 -37.33 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' LEU . 30.4 mtp -75.02 -29.7 60.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 99.53 18.71 22.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.1 m -97.69 151.73 37.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.8 33.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.75 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.25 40.35 5.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.31 140.92 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -126.74 122.32 34.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 1.5 m-85 -81.47 139.51 35.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -117.99 -29.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 p -139.0 151.0 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 24' ' ' PHE . 6.8 mt -126.61 155.38 42.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -143.5 103.89 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 6.1 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.471 ' NE2' ' HG3' ' A' ' 25' ' ' GLU . 35.8 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.523 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 20.3 tt -113.9 137.1 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -123.54 110.29 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.6 mm? -98.16 150.83 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.436 ' CG ' ' HA ' ' A' ' 17' ' ' PHE . 9.3 m-85 -134.21 114.24 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -43.77 -42.25 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -102.62 155.19 36.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 162.56 41.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 66.28 32.04 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.436 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.6 m-85 52.83 45.44 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -119.42 178.05 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.09 -158.01 38.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -58.01 134.5 56.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.9 p -126.13 136.83 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.92 121.0 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 p -109.28 145.34 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -127.12 121.92 32.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.471 ' HG3' ' NE2' ' A' ' 8' ' ' GLN . 29.6 mt-10 -86.73 -36.32 18.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.63 171.05 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.0 m -59.64 133.26 55.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -115.05 148.63 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -112.33 -31.07 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -135.68 142.64 45.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 50.5 mm -96.36 145.74 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 102.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t0 57.21 32.04 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.2 p 46.05 35.57 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 1.4 p90 -56.24 116.98 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 20.0 m -52.36 164.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.0 m -146.59 118.48 8.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -92.41 -37.61 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -123.86 158.13 32.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.0 p -146.04 172.0 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.03 113.2 7.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.72 136.27 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 t -156.06 110.52 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.79 70.97 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.81 162.77 32.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 m -80.45 163.62 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 34.3 m95 -140.19 122.53 15.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.514 HG12 ' CZ ' ' A' ' 50' ' ' TYR . 6.5 t -94.33 127.03 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 m -111.09 118.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -110.69 126.34 54.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.964 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.26 12.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.68 146.76 16.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.75 143.14 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 67.85 32.47 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 56.93 44.16 23.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -106.84 163.95 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.29 -133.54 11.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -100.23 147.99 25.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.457 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 1.7 pm0 -120.35 142.33 49.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 3.3 m-85 -136.96 108.35 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 m -71.03 168.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.1 mt -145.83 124.14 12.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.96 169.94 17.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.5 114.64 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.11 170.23 31.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.03 115.33 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -98.75 101.96 13.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.632 0.73 . . . . 0.0 110.968 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -33.2 17.07 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.1 p -137.29 174.07 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.44 -43.69 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -40.42 -61.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -38.03 18.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.0 mtp -74.11 -28.54 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.39 -32.81 6.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.1 m -55.03 147.75 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.85 44.33 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 81.62 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.254 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.72 55.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.5 m -112.7 113.84 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.44 142.98 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -117.89 -35.57 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.5 p -136.48 153.71 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 mt -126.74 163.07 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -149.75 106.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.484 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 12.2 tt -128.44 154.47 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.7 t60 -139.7 109.98 6.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.5 mm? -98.65 152.6 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 86.5 m-85 -134.16 113.6 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -41.58 -49.58 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 44.4 mm-40 -96.41 157.61 35.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 166.04 28.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 60.76 31.96 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.404 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.9 m-85 55.4 45.54 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 27.2 mm100 -115.86 178.2 4.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.25 -158.1 31.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.6 p -147.18 141.14 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -144.29 123.53 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.5 p -108.33 140.94 40.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -128.61 134.48 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -106.56 -33.13 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -105.78 171.52 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.7 m -64.43 106.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 m -86.81 147.56 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -114.71 -30.82 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -132.76 142.51 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.21 147.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.07 102.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.78 32.0 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 p 46.18 33.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.2 p90 -52.34 118.04 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 34.5 m -52.04 158.51 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.461 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 98.2 m -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -100.7 -35.47 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 p -127.82 154.81 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.415 ' SG ' ' SD ' ' A' ' 73' ' ' MET . 14.7 p -145.86 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' HIS . 6.8 ttm180 -141.91 108.58 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.06 142.53 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.77 116.0 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.91 62.03 1.63 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 161.54 24.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.8 m -79.1 164.74 24.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.484 ' CD2' ' HB ' ' A' ' 9' ' ' ILE . 29.0 m95 -141.58 128.66 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.481 HG12 ' CZ ' ' A' ' 50' ' ' TYR . 92.5 t -99.91 128.18 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.73 120.64 63.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.481 ' CZ ' HG12 ' A' ' 48' ' ' VAL . 2.3 m-85 -103.9 146.85 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -82.8 -18.11 41.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.08 161.11 13.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 40.2 mt-10 -77.17 152.95 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.437 ' ND2' ' C ' ' A' ' 53' ' ' GLU . 1.2 m-80 66.58 33.75 6.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 54.2 41.55 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.1 p -101.95 168.13 9.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.05 -140.64 23.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -89.01 161.92 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 17.2 pt20 -132.15 144.21 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -136.99 105.28 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 m -72.84 151.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 mt -129.21 122.68 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.87 176.08 8.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.47 113.26 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.59 157.05 10.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 5.4 p80 -81.02 111.52 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 73' ' ' MET . 97.4 m-85 -98.46 102.08 13.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.43 10.79 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.4 t -135.42 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 73' ' ' MET . 37.3 mt -70.11 -44.46 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -36.29 -61.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.85 -35.12 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.565 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 14.8 mtm -76.51 -30.31 57.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.6 -29.55 11.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 33.0 m -53.79 151.89 10.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.89 40.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 91.87 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.37 43.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.02 114.06 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.3 m -98.18 120.41 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.461 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 2.7 m-85 -83.26 138.36 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -117.94 -31.67 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.2 p -137.12 153.76 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -129.95 156.28 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -142.43 104.79 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.441 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.4 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.567 HG22 ' CZ3' ' A' ' 47' ' ' TRP . 19.0 tt -150.67 135.45 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 t60 -122.93 117.7 26.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 1.5 mm? -102.2 155.51 18.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 69.8 m-85 -134.24 113.86 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -43.7 -45.63 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 36.3 mt-10 -100.58 156.07 35.63 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 165.4 31.13 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 62.51 32.39 16.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 54.11 46.8 24.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 91.0 mt-30 -118.09 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.63 -161.06 23.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -60.25 149.3 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.466 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 78.1 p -147.5 144.73 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -132.93 156.12 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.413 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 11.1 p -130.15 138.4 50.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -131.41 133.19 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.19 -33.02 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -105.11 162.54 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -59.93 106.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 m -94.03 151.24 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.467 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -117.96 -21.46 8.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.467 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 22.2 mp0 -129.19 148.05 51.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 32' ' ' ASP . 37.0 mm -113.61 145.98 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -51.29 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 55.82 31.98 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 43.96 38.3 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -57.14 118.69 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.558 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 28.4 p -52.05 163.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 33.7 m -145.67 110.14 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -85.82 -33.51 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 p -129.36 150.83 50.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -142.62 169.02 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -141.7 105.98 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 43' ' ' SER . 85.5 t -84.88 149.33 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.431 ' N ' HG13 ' A' ' 42' ' ' VAL . 1.6 m -158.03 105.71 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 87.37 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.44 162.03 30.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -77.7 164.61 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.567 ' CZ3' HG22 ' A' ' 9' ' ' ILE . 25.9 m95 -140.32 134.17 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.531 HG12 ' CE1' ' A' ' 50' ' ' TYR . 17.8 t -100.79 137.65 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 m -125.01 114.27 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 9.7 m-85 -100.15 150.34 22.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.98 17.91 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.63 143.15 13.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.78 144.62 56.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 68.04 34.48 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 83' ' ' SER . 6.4 m-85 56.74 47.96 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.8 p -107.92 155.79 19.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.58 -132.79 11.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -98.75 169.23 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 7.9 pt20 -138.94 140.61 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -137.06 111.97 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.0 m -73.23 166.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mt -144.9 125.55 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -76.15 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.22 115.68 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 170.71 -162.18 35.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -119.38 118.55 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.97 101.94 46.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.682 0.753 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.33 23.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.2 m -138.56 170.97 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 73' ' ' MET . 46.5 mt -70.93 -47.46 58.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.2 t -37.37 -62.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.26 -37.25 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.7 mtp -76.04 -26.95 57.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.74 -32.34 7.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 89.9 m -53.65 150.45 13.29 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 163.15 39.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 93.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.14 48.83 0.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.88 138.7 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.0 m -121.16 107.84 13.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.45 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 3.6 m-85 -69.26 137.38 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -118.01 -28.67 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.491 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 51.1 p -141.28 145.05 35.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.0 mt -119.62 157.3 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -143.35 108.12 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.3 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.575 HG22 ' CZ3' ' A' ' 47' ' ' TRP . 18.1 tt -117.7 137.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.0 t60 -126.93 108.78 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -93.65 155.21 17.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 77.2 m-85 -133.87 117.77 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -46.56 -45.35 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.43 156.42 35.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.4 Cg_endo -69.81 165.85 29.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 62.48 33.82 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 52.54 41.57 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -115.41 178.93 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.14 -160.66 26.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -56.88 149.15 19.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.3 p -143.25 141.27 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -137.03 139.17 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.423 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 19.6 p -117.37 142.48 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.536 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 78.5 m-85 -127.97 109.18 11.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.71 -34.24 58.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -115.73 171.11 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.2 m -58.25 133.45 55.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 m -108.29 151.02 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -113.13 -32.58 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -141.59 126.14 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 32' ' ' ASP . 42.3 mm -77.15 145.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.532 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -52.02 102.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.18 31.96 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 45.26 39.79 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -55.72 117.17 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 p -52.21 158.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.5 m -147.31 121.48 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 11.3 mttm -96.45 -32.03 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 p -125.25 155.27 40.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 p -143.01 172.01 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -145.42 113.39 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 43' ' ' SER . 45.4 t -101.38 140.46 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.444 ' N ' HG12 ' A' ' 42' ' ' VAL . 1.6 m -157.69 108.92 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.48 58.31 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.45 163.89 21.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.3 m -84.33 165.56 18.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.575 ' CZ3' HG22 ' A' ' 9' ' ' ILE . 32.6 m95 -140.6 134.93 31.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.491 HG12 ' CZ ' ' A' ' 50' ' ' TYR . 3.3 t -99.22 137.52 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.26 113.75 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.491 ' CZ ' HG12 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -100.63 142.59 31.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.14 -13.43 59.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -111.03 163.58 12.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 82' ' ' LYS . 15.1 mt-10 -79.49 153.69 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.446 HD21 ' N ' ' A' ' 54' ' ' ASN . 1.7 m-80 62.82 36.26 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 56.53 47.39 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.0 p -107.57 159.44 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.79 -152.47 31.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -77.61 153.18 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.458 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 7.6 pt20 -125.45 136.89 53.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -129.76 114.1 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 m -78.13 165.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.4 mt -138.63 123.25 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -81.73 163.22 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.33 111.47 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.81 156.12 10.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.34 110.8 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 103.12 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 110.92 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.26 17.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 56.3 m -139.26 177.64 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 73' ' ' MET . 14.1 mt -72.18 -47.92 47.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.4 t -37.53 -59.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.7 -37.81 52.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.8 mtp -74.5 -29.78 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.88 -33.74 5.73 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.2 m -52.34 152.05 6.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 160.89 48.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 90.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.69 43.25 0.46 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.79 148.83 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.5 m -130.36 108.11 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.44 136.59 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.421 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 37.2 mttt -114.96 -30.21 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.8 p -135.95 153.78 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.536 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 12.0 mt -128.73 156.47 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 62.5 ttt-85 -145.88 102.6 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.571 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.8 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.504 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 14.1 tt -102.87 149.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.708 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -135.95 106.05 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 37' ' ' THR . 2.7 mm? -100.87 143.21 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.708 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 33.0 m-85 -124.57 115.64 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -39.54 -48.64 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 5.5 mm-40 -97.02 155.29 37.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 63.65 33.28 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 53.34 44.81 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.42 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 66.7 mt-30 -118.49 177.8 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.03 -158.83 29.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -54.06 153.19 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 p -145.43 140.26 27.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -142.71 131.84 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 p -113.96 143.81 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 62.7 m-85 -126.86 130.5 50.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.98 -32.2 10.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 170.13 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -58.75 124.02 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 29' ' ' SER . 95.7 m -103.61 145.13 30.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 28' ' ' THR . 67.7 p -112.08 -26.49 8.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -141.86 124.76 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.425 HG12 ' C ' ' A' ' 82' ' ' LYS . 46.2 mm -83.11 150.58 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -52.02 103.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t70 53.2 32.01 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 44.85 35.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -52.05 121.89 7.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.7 m -51.99 147.42 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.468 HG21 ' CD1' ' A' ' 11' ' ' LEU . 85.7 m -126.04 111.33 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -93.94 -36.34 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.8 p -125.93 151.37 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.432 ' CB ' ' CD1' ' A' ' 11' ' ' LEU . 31.6 p -142.87 168.78 18.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -145.55 102.03 3.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.3 137.58 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.34 104.12 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.15 67.21 1.0 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.95 167.02 28.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.506 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 m -85.17 163.05 18.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 27.2 m95 -140.0 125.94 19.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.517 ' CG1' ' CZ ' ' A' ' 50' ' ' TYR . 58.8 t -98.47 122.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.451 ' HB ' ' CG ' ' A' ' 81' ' ' PHE . 4.2 m -105.57 121.63 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.517 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -109.82 126.53 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.52 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.9 t70 -80.25 14.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.43 125.31 4.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 11.9 mt-10 -51.99 147.41 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 29.0 m-80 64.73 35.83 8.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' A' ' 83' ' ' SER . 17.3 m-85 52.94 43.32 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -105.32 162.17 13.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.23 -136.32 14.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -95.97 170.18 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.474 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 15.6 pt20 -138.97 135.45 34.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -130.77 116.27 17.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.5 m -78.7 167.67 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -146.59 123.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -81.64 160.66 23.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.58 122.77 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.64 157.44 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -83.28 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.475 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 83.4 m-85 -106.15 102.02 37.61 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.689 0.757 . . . . 0.0 110.934 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -34.45 14.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.59 173.64 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 73' ' ' MET . 40.7 mt -73.8 -47.57 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -39.77 -54.26 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.63 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.475 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 24.2 mtp -75.31 -29.23 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.78 -35.6 4.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.3 m -52.47 155.44 3.7 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 160.69 48.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.38 49.43 0.52 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.5 155.78 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.419 HG22 ' CE ' ' A' ' 82' ' ' LYS . 55.0 m -134.47 110.6 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.451 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 5.2 m-85 -78.89 135.52 37.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -112.4 -28.66 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.53 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 52.3 p -137.15 155.1 49.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.436 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.0 mt -131.97 165.39 24.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -152.25 102.15 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 3.4 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 tt -126.41 143.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.795 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.6 t60 -129.16 110.45 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.66 146.3 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.795 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 10.2 m-85 -134.13 112.59 11.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -38.71 -44.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.43 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 18.5 mt-10 -99.26 155.66 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' CG ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.81 166.75 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.15 32.19 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 54.57 47.02 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 23.9 mm100 -120.77 177.79 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.38 -157.89 46.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -52.21 136.36 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 p -120.23 137.11 54.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.57 119.77 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.0 p -116.74 141.4 48.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -125.18 139.87 53.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 -36.27 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -100.68 167.55 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.1 m -62.02 108.03 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -88.71 147.68 24.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -110.7 -32.97 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -132.93 145.9 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.402 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 43.7 mm -102.98 151.28 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.01 103.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 32.09 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 p 48.53 39.03 12.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.1 p90 -59.8 117.95 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 27.8 p -51.93 157.4 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.9 m -126.58 116.14 20.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 1.7 mmpt? -85.97 -38.46 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 p -135.09 159.53 41.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.99 168.14 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -144.46 102.95 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.3 t -96.06 138.79 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 t -157.87 104.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.92 53.34 0.97 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.03 175.2 19.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.47 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.7 m -91.24 165.04 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.545 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 43.4 m95 -145.99 115.62 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 90.3 t -90.64 131.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 81' ' ' PHE . 7.0 m -115.93 121.47 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.521 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 10.3 m-85 -102.31 130.59 49.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.38 -15.3 63.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.17 159.63 13.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -76.89 156.22 32.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 66.26 32.12 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 51.87 48.04 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -111.67 170.5 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.76 -144.47 28.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -79.65 155.96 27.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.42 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -130.3 137.58 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -134.0 115.38 14.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.413 HG12 ' CG2' ' A' ' 48' ' ' VAL . 3.0 m -83.8 146.96 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mt -119.89 122.95 42.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.01 175.6 9.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -74.74 114.59 13.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.54 142.08 3.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -70.13 111.31 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -96.65 103.92 16.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.736 0.779 . . . . 0.0 110.891 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -34.31 14.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.742 2.294 . . . . 0.0 112.325 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.8 t -134.42 170.49 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 36.1 mt -73.5 -46.71 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.7 m -38.46 -53.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' LEU . 26.9 mtp -74.9 -30.18 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.45 -33.87 5.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 16.4 m -52.15 144.07 22.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.41 57.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 94.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.85 43.16 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.1 130.27 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -113.55 113.9 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 49' ' ' VAL . 7.1 m-85 -72.72 137.97 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -117.73 -33.23 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 p -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.72 156.19 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -141.78 112.7 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.545 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 12.4 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.715 0.293 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.462 HD13 ' CB ' ' A' ' 47' ' ' TRP . 19.7 tt -111.89 137.47 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 2.3 t60 -124.49 109.66 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.5 ' N ' HD21 ' A' ' 11' ' ' LEU . 2.7 mm? -93.43 154.53 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -133.0 119.37 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -50.28 -49.86 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.96 157.63 34.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.84 33.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 62.59 32.22 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 52.36 42.0 30.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.74 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.06 -142.95 46.91 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -75.3 155.74 36.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -146.67 138.97 24.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -139.29 120.78 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.493 ' HB3' ' CG ' ' A' ' 10' ' ' HIS . 28.1 p -110.67 143.88 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.531 ' CD1' HD11 ' A' ' 84' ' ' LEU . 54.2 m-85 -123.97 103.74 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.89 -39.0 90.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 27' ' ' THR . 2.9 pp20? -110.39 177.82 4.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 28' ' ' THR . 96.9 m -58.58 146.0 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.456 ' N ' HG23 ' A' ' 27' ' ' THR . 54.3 m -123.27 146.8 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -110.62 -32.17 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -143.22 135.12 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.425 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 35.0 mm -88.56 147.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.04 102.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 54.13 32.07 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 p 45.85 37.41 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -52.4 115.43 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -52.19 149.29 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -133.95 112.09 10.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -85.14 -28.42 25.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 p -135.9 150.97 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.0 p -138.93 172.48 12.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -143.91 105.91 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 95.7 t -94.4 127.12 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.6 t -149.11 103.74 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.54 33.56 1.57 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.493 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.3 178.7 16.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 m -86.68 162.69 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.462 ' CB ' HD13 ' A' ' 9' ' ' ILE . 41.8 m95 -145.31 126.66 14.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.522 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 55.4 t -97.98 122.49 49.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 81' ' ' PHE . 11.3 m -109.33 125.93 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.522 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 5.3 m-85 -104.45 142.45 34.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.28 17.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.46 141.18 10.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -58.97 146.52 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 66.98 36.01 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 54.24 39.15 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -101.6 160.63 14.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.96 -128.72 9.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -99.5 175.59 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.449 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 6.7 pt20 -143.88 137.63 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -135.96 110.26 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.8 m -76.43 162.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -143.21 125.43 15.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.99 166.35 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.04 114.72 2.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.37 156.52 10.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.67 112.77 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -100.6 102.04 17.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.693 0.759 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -26.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.7 p -140.62 177.18 8.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' MET . 30.8 mt -77.34 -52.43 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' GLY . 22.8 t -35.03 -64.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.32 -37.2 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 32.1 mtp -74.4 -29.39 61.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.52 -34.0 5.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.5 m -52.0 158.06 1.9 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 170.11 17.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.6 48.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.89 134.12 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -123.51 109.65 14.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.7 m-85 -65.99 134.86 53.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -117.99 -32.32 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.9 p -140.47 150.83 44.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.531 HD11 ' CD1' ' A' ' 24' ' ' PHE . 5.5 mt -121.44 165.28 15.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 ttt-85 -156.27 107.31 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 tt -128.34 147.16 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -126.22 108.16 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.9 mm? -97.93 148.2 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 2.6 m-85 -134.14 126.09 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.7 t -54.57 -42.53 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 49.5 mm-40 -101.68 156.22 35.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 165.73 29.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 62.6 33.61 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 52.45 43.85 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.408 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 75.4 mt-30 -118.16 178.95 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.31 -153.01 46.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -53.41 151.41 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.5 p -139.18 135.02 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 13.5 mt-30 -143.45 119.15 10.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -110.84 140.5 45.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -122.83 122.15 37.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -88.02 -34.2 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -116.41 173.82 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 m -56.74 135.26 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.7 m -116.19 146.44 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t -117.98 -20.83 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -137.56 148.12 45.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 mm -112.71 148.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.46 102.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.45 31.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p 55.2 38.47 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -53.88 116.53 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 24.2 p -54.4 162.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.3 m -146.79 122.32 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -97.62 -28.33 13.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.2 p -130.18 154.4 47.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.6 p -145.63 162.38 37.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -141.83 101.98 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 48.1 t -84.29 141.67 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.96 106.32 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.52 31.57 2.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.06 -170.59 13.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -92.08 162.32 14.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -142.44 124.86 15.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 21.2 t -96.02 124.36 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 m -109.07 127.09 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 3.0 m-85 -110.23 128.68 55.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.18 59.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.56 150.98 17.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.424 ' CG ' ' HD3' ' A' ' 82' ' ' LYS . 39.1 mt-10 -71.2 154.08 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 3.0 m-80 67.38 34.0 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.5 OUTLIER 55.16 44.22 28.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.0 p -108.74 176.79 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.0 -148.34 44.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -76.5 175.59 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 18.9 pt20 -146.98 137.72 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -134.46 111.07 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.79 161.73 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -140.55 123.21 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.44 158.34 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.04 113.72 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.79 -175.18 46.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -108.46 111.74 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.8 m-85 -100.73 102.08 18.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.701 0.762 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -33.33 16.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -138.0 171.88 13.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.67 -45.98 60.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 t -41.27 -53.8 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.8 -36.33 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.502 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 27.1 mtp -76.11 -25.86 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -32.88 6.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.0 m -52.06 146.78 14.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.61 18.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.19 2.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.84 54.13 0.67 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.27 129.8 56.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.0 m -126.96 107.19 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.24 133.34 55.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 64.6 mttt -117.62 -24.87 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -149.26 150.18 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 mt -121.96 161.48 22.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -156.87 109.88 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.0 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' OE1' ' C ' ' A' ' 8' ' ' GLN . 4.2 tm0? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.495 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 18.8 tt -114.23 136.97 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.7 t60 -125.91 113.14 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 11' ' ' LEU . 2.6 mm? -96.97 151.01 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.63 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 31.1 m-85 -134.39 118.41 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -50.73 -44.51 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 14.9 mm-40 -97.55 155.45 37.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.58 41.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 63.2 33.46 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 52.43 44.98 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.415 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 77.0 mt-30 -114.0 179.07 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -154.27 35.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -65.4 139.11 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.3 p -135.19 148.08 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -137.69 158.11 45.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 p -136.3 139.52 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -127.41 103.72 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.17 -35.03 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -115.44 172.17 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.5 m -56.49 145.3 28.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.3 m -126.56 147.92 49.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 p -111.13 -31.57 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -133.35 139.67 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.7 mm -95.71 146.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -52.0 105.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 2.0 p30 51.99 32.01 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 45.78 37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.99 118.25 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.461 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 18.6 t -55.66 168.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 m -151.18 112.94 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -82.91 -26.27 31.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.9 p -139.46 149.46 44.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.26 173.15 12.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' HIS . 10.6 ttm180 -146.77 107.1 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -97.19 146.46 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -155.01 110.63 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.62 65.69 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.56 161.38 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.543 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -80.44 166.12 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.545 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 28.3 m95 -140.64 138.82 34.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.455 HG11 ' CZ ' ' A' ' 50' ' ' TYR . 2.8 t -101.11 128.02 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 m -115.76 117.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.455 ' CZ ' HG11 ' A' ' 48' ' ' VAL . 5.9 m-85 -100.04 158.54 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.9 -11.52 24.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.36 169.28 12.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -81.47 150.25 28.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 60.59 38.58 18.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 54.6 43.45 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.4 p -101.32 159.53 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.79 -131.85 10.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -96.0 176.3 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -149.57 144.17 26.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -137.07 114.64 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 m -77.72 163.94 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -140.82 126.7 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.29 161.82 27.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.21 122.27 15.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.35 -157.42 29.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.416 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -128.01 112.82 15.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CD1' ' CG ' ' A' ' 73' ' ' MET . 94.9 m-85 -98.47 102.01 13.26 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.701 0.762 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.12 30.12 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -143.88 172.88 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.71 -49.34 26.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLY . 38.6 t -39.17 -61.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.31 -36.49 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.469 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 30.9 mtp -75.37 -26.41 58.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 109.85 -32.66 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.39 144.38 23.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.49 30.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.272 . . . . 0.0 112.312 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 87.09 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.396 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.04 44.63 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.51 125.67 53.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -109.7 139.77 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -96.11 134.98 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -115.56 -30.78 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.5 p -136.56 152.65 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mt -125.96 161.22 28.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -150.82 104.11 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.545 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.1 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.2 tt -129.41 148.63 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -129.24 107.36 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -95.76 152.8 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 70.4 m-85 -134.02 117.73 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.4 p -47.71 -49.02 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -96.33 155.75 37.67 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 162.94 40.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 65.49 32.32 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 54.07 44.85 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.421 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 78.1 mm-40 -118.5 178.07 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.96 -161.13 29.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -52.24 154.63 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.9 p -147.16 137.43 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -136.98 137.87 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 p -120.95 142.36 49.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -129.18 136.87 50.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -105.68 -32.07 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -105.52 163.09 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.9 m -60.32 103.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -86.26 151.05 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 3.9 t -117.96 -26.08 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -133.86 133.97 42.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.514 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 41.6 mm -90.1 144.89 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.485 ' N ' HG22 ' A' ' 31' ' ' ILE . 7.1 m-20 -50.86 102.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 22.7 t70 57.26 32.06 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.96 37.63 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -56.24 117.67 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 47.0 p -52.4 160.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.1 m -145.03 116.38 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -90.24 -34.53 15.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 p -127.55 158.14 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' ' HE2' ' A' ' 73' ' ' MET . 21.0 p -146.9 165.54 29.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -139.88 108.7 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -90.11 128.19 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -140.41 102.81 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 74.89 1.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.42 159.72 35.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.6 m -77.79 164.32 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.467 ' CB ' HD12 ' A' ' 9' ' ' ILE . 28.0 m95 -139.35 136.33 34.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.527 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 54.8 t -104.38 133.36 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 84' ' ' LEU . 5.2 m -119.7 119.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.527 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 2.7 m-85 -103.05 130.93 50.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -17.48 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.9 160.87 15.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.455 ' HG2' ' CD ' ' A' ' 82' ' ' LYS . 13.3 mm-40 -78.76 156.61 28.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 11.7 m-80 62.59 32.32 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.7 OUTLIER 56.62 45.76 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.9 p -108.8 170.33 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.9 -137.0 20.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -88.84 169.63 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 23.0 pt20 -142.97 134.86 26.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.72 110.37 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 48' ' ' VAL . 5.8 m -74.72 163.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -141.04 123.34 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -78.96 155.57 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 1.3 tm-20 -58.47 129.53 42.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.89 -158.03 28.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -121.57 122.72 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -116.2 102.07 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -35.76 12.1 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.57 170.1 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' MET . 36.0 mt -66.7 -45.62 78.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.3 t -38.6 -53.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.3 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 27.9 mtp -74.14 -27.93 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.59 -32.26 7.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 98.0 m -53.91 145.79 31.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.55 41.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 84.07 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.47 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.29 121.84 46.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.7 m -111.05 107.0 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.23 138.03 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.455 ' CD ' ' HG2' ' A' ' 53' ' ' GLU . 61.6 mttt -118.0 -30.31 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.9 p -134.87 149.24 50.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.456 ' CD2' HG11 ' A' ' 49' ' ' VAL . 2.0 mt -124.12 160.8 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -149.49 110.19 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.437 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 5.1 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.1 tt -111.83 140.08 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -128.09 105.71 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -90.86 155.09 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.27 117.21 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -43.84 -51.98 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 25.0 mt-10 -92.04 156.67 42.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 165.64 30.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.626 2.218 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 63.52 32.43 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 53.9 44.7 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 79.4 mt-30 -120.49 178.37 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.32 -158.28 46.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -57.59 149.36 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -135.02 146.43 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -146.39 129.96 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p -112.43 150.33 31.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.445 ' O ' ' CH2' ' A' ' 47' ' ' TRP . 88.9 m-85 -136.99 110.51 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.46 15.96 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -149.54 154.86 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.7 m -57.65 103.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 29' ' ' SER . 52.0 m -96.54 153.25 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.415 ' N ' HG21 ' A' ' 28' ' ' THR . 2.8 m -117.95 -22.96 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -134.41 141.63 46.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 34.6 mm -97.81 146.47 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' N ' HG22 ' A' ' 31' ' ' ILE . 26.9 m-20 -51.96 102.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 55.63 32.04 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 45.4 36.14 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.36 120.38 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.5 p -52.02 154.42 2.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.455 HG21 ' CD1' ' A' ' 11' ' ' LEU . 84.9 m -141.33 114.75 8.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.86 -33.19 13.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -124.97 166.76 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.5 p -151.52 171.7 17.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -143.59 117.43 9.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -106.49 139.78 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 t -157.72 103.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.26 65.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.32 170.59 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -89.61 165.15 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.1 m95 -143.04 116.67 9.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.518 HG12 ' CZ ' ' A' ' 50' ' ' TYR . 21.4 t -87.97 135.02 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 81' ' ' PHE . 5.6 m -120.74 120.38 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.518 ' CZ ' HG12 ' A' ' 48' ' ' VAL . 1.2 m-85 -105.47 118.48 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -10.98 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.99 162.38 18.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.463 ' CG ' ' HD3' ' A' ' 82' ' ' LYS . 55.3 mt-10 -82.6 147.88 28.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 61.71 39.63 14.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 58.7 47.88 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 53' ' ' GLU . 69.5 p -113.97 161.27 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.72 -150.61 26.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -75.41 165.48 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 10.6 pt20 -139.88 127.79 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.47 113.89 18.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 m -75.14 151.13 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -128.17 122.65 32.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.29 166.41 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.26 125.3 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.48 133.58 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.79 110.29 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 73.3 m-85 -94.27 105.77 19.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.669 0.747 . . . . 0.0 110.972 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.96 5.91 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 57.1 m -141.3 176.52 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 75' ' ' CYS . 37.0 mt -67.97 -43.68 78.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.7 t -41.85 -57.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.2 66.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.469 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 29.7 mtp -74.18 -30.07 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.26 18.79 15.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.448 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 71.0 m -101.94 152.5 38.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.508 ' C ' ' H ' ' A' ' 78' ' ' GLY . 54.1 Cg_endo -69.76 161.87 44.27 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 18.11 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 76' ' ' PRO . . . -156.33 55.59 0.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.75 134.83 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 102.04 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.561 ' CE1' HG21 ' A' ' 49' ' ' VAL . 2.8 m-85 -59.04 134.24 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 82.7 mttt -117.99 -24.51 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.6 p -139.38 154.7 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 49' ' ' VAL . 6.1 mt -128.09 161.68 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -150.62 106.2 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.521 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 15.8 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.807 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -128.81 149.75 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.493 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 t60 -130.93 116.08 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.0 mm? -102.34 151.4 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 46.3 m-85 -133.39 112.94 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 t -40.16 -45.24 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 11.4 mt-10 -100.39 158.9 31.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 54.0 Cg_endo -69.78 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 56.57 36.22 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.46 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 51.99 43.45 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 50.7 mt-30 -111.98 178.14 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.93 -155.4 26.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -60.82 156.06 18.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.4 p -147.02 144.49 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -141.99 125.23 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 p -106.34 143.53 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -125.7 121.67 34.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -87.54 -35.79 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -113.24 172.63 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -60.88 124.67 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.2 m -102.81 144.29 31.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.8 p -110.7 -26.35 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -139.42 132.63 29.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 32' ' ' ASP . 23.7 mm -89.94 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' HG23 ' A' ' 31' ' ' ILE . 7.9 m-20 -52.03 103.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 55.14 31.98 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 45.0 36.58 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -54.45 117.74 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.462 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 23.3 p -52.07 164.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -151.53 116.95 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 10.3 mttm -91.39 -31.54 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -127.25 155.39 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 p -146.96 164.92 31.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -135.36 102.56 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 62.0 t -86.54 130.23 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 t -156.15 108.97 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.26 -17.98 9.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.491 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 163.14 -170.94 38.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 36.5 m -87.73 158.1 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -144.18 120.14 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.506 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 2.5 t -88.28 112.79 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.531 ' HB ' ' CD1' ' A' ' 81' ' ' PHE . 3.7 m -96.92 110.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.506 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 2.4 m-85 -98.85 134.16 42.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.96 -17.18 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.96 164.16 12.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -78.64 153.36 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 65.43 37.3 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 52.45 42.87 31.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -99.7 174.98 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.12 -146.78 49.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -71.36 166.17 22.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.436 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 14.9 pt20 -143.14 129.97 20.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -136.42 116.35 13.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 48' ' ' VAL . 5.3 m -87.8 145.19 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 46' ' ' SER . 13.5 mt -120.42 122.52 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' C ' HG11 ' A' ' 42' ' ' VAL . 37.4 mt-10 -82.59 168.15 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.96 114.73 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.78 141.05 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.07 118.57 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 98.5 m-85 -108.31 101.97 44.62 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.703 0.763 . . . . 0.0 110.908 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -29.74 23.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.0 p -133.56 176.97 8.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.85 -47.67 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -41.66 -59.5 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.0 -34.84 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.421 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 33.7 mtp -75.48 -27.02 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.87 20.02 22.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.37 154.85 37.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.82 48.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.21 41.05 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.59 108.93 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.4 m -97.7 104.16 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 3.6 m-85 -62.64 136.83 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -117.83 -24.94 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 p -145.27 151.34 38.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mt -124.87 159.55 30.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -150.14 120.23 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.538 HG22 ' CZ3' ' A' ' 47' ' ' TRP . 19.9 tt -146.43 130.75 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.444 ' CD2' ' CE1' ' A' ' 12' ' ' PHE . 3.5 t60 -122.73 105.2 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.5 ' N ' HD21 ' A' ' 11' ' ' LEU . 3.2 mm? -86.59 158.09 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 10' ' ' HIS . 58.2 m-85 -134.29 127.01 30.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -57.09 -45.58 83.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 32.1 mt-10 -100.46 157.99 32.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.419 ' HD3' ' HD2' ' A' ' 38' ' ' LYS . 53.4 Cg_endo -69.82 161.9 44.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 64.25 31.99 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 55.14 46.31 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 41.5 mm-40 -117.04 177.62 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.26 -162.51 28.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -59.59 156.05 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.452 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 2.8 m -136.77 159.42 41.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 7.3 mp0 -149.75 119.44 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.416 ' HB2' ' ND1' ' A' ' 10' ' ' HIS . 38.7 t -103.68 151.32 23.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 88.7 m-85 -142.09 104.71 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.86 7.24 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -149.04 173.13 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.5 m -71.79 112.32 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.458 ' CG2' ' CD1' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -98.7 158.37 15.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -118.03 -19.51 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -140.51 144.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 32' ' ' ASP . 41.3 mm -100.77 145.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.514 ' N ' HG22 ' A' ' 31' ' ' ILE . 7.4 m-20 -51.99 102.35 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 57.09 32.78 22.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 44.67 32.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 22' ' ' GLN . 1.2 p90 -52.06 119.66 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 8.4 t -52.02 161.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.3 m -143.47 116.84 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD2' ' HD3' ' A' ' 15' ' ' PRO . 31.7 mttt -95.87 -35.74 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -128.07 155.89 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -145.42 168.24 20.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -136.68 105.03 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 47.4 t -89.96 136.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -157.77 105.91 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 37.92 2.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.472 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 117.49 -173.62 14.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.2 m -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.538 ' CZ3' HG22 ' A' ' 9' ' ' ILE . 36.5 m95 -139.9 134.61 31.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 59' ' ' GLN . 40.4 t -106.41 128.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.469 HG22 ' CE1' ' A' ' 81' ' ' PHE . 6.3 m -114.51 124.4 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.485 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 25.2 m-85 -105.3 136.02 45.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.19 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.86 164.07 13.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.99 149.38 28.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 3.9 m-80 61.69 40.46 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 59.34 46.84 12.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.3 p -114.52 159.91 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.69 -151.95 25.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.422 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -73.35 175.85 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 21.3 pt20 -146.6 139.74 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -135.3 106.39 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' CG1' HG21 ' A' ' 48' ' ' VAL . 4.7 m -73.12 161.67 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 mt -143.03 124.82 15.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -81.6 167.94 18.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.52 116.94 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.94 165.62 23.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -93.5 110.4 21.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.9 m-85 -97.43 104.35 19.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.677 0.751 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -34.85 13.64 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.655 2.236 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -135.54 170.93 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' MET . 20.2 mt -70.35 -46.52 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -38.39 -57.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.1 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 24.8 mtp -81.98 14.37 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.83 18.96 34.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 98.3 m -103.96 150.66 38.49 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 3.72 2.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.91 61.01 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.32 118.99 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.01 104.06 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.469 ' CE1' HG22 ' A' ' 49' ' ' VAL . 2.2 m-85 -63.62 137.51 58.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -117.56 -26.36 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.6 p -142.8 162.17 36.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.473 ' CD1' ' CG ' ' A' ' 24' ' ' PHE . 2.5 mt -130.06 160.57 33.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -157.12 108.23 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 18.1 tt -126.51 147.79 31.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.1 t60 -131.84 107.77 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -92.25 149.7 21.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 32.1 m-85 -134.42 114.06 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.4 t -43.33 -44.4 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 71.9 mm-40 -100.45 154.61 37.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 164.41 34.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.95 31.97 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 54.21 46.17 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.42 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 68.0 mt-30 -117.73 178.04 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.66 -160.11 15.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -56.11 151.41 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.6 p -145.04 136.19 24.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -136.61 119.91 16.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.7 p -106.54 144.95 32.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 84' ' ' LEU . 24.9 m-85 -128.41 140.3 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.45 -32.7 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.99 154.0 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.3 m -52.22 107.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' LEU . 19.7 m -92.99 151.74 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.7 t -117.95 -25.95 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -129.94 127.42 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 32' ' ' ASP . 49.8 mm -86.27 144.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.496 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -50.6 102.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 55.6 32.05 18.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 44.94 36.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.8 p90 -57.44 117.02 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.5 p -53.7 157.65 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.0 m -143.25 124.64 14.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -98.91 -26.07 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.3 p -135.44 153.89 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.3 p -144.34 171.78 13.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -138.99 108.17 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -96.03 136.72 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -151.55 109.35 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.69 66.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.61 159.56 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.7 m -78.77 166.77 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.53 ' CD2' ' HB ' ' A' ' 9' ' ' ILE . 34.8 m95 -139.98 130.33 25.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.531 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 96.9 t -103.42 129.65 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.456 HG12 ' CD2' ' A' ' 84' ' ' LEU . 3.2 m -120.76 120.07 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 4.3 m-85 -99.41 151.45 21.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.15 -16.95 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.72 168.29 13.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -80.7 154.98 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 64.1 m-80 63.61 35.66 11.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 53.81 48.0 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 165.4 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 -152.77 42.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.37 175.68 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.405 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 5.2 pt20 -155.9 132.3 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.508 ' CG ' ' SG ' ' A' ' 75' ' ' CYS . 92.3 m-85 -118.04 111.67 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -89.89 122.33 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.123 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -104.38 123.11 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -79.01 165.23 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.7 110.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.03 128.26 0.94 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -56.22 114.93 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 69.2 m-85 -99.41 101.97 14.83 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.692 0.758 . . . . 0.0 110.933 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -31.86 19.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.55 158.99 43.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD2' ' HB2' ' A' ' 75' ' ' CYS . 41.6 mt -60.56 -42.95 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 66.5 m -37.72 -59.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.06 -37.36 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' LEU . 34.1 mtp -74.14 -29.97 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.79 22.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.508 ' SG ' ' CG ' ' A' ' 60' ' ' TYR . 82.0 m -100.35 150.37 36.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 158.53 56.69 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.35 49.07 0.2 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.19 132.76 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.8 m -119.16 103.75 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.11 140.22 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.414 ' C ' HG12 ' A' ' 31' ' ' ILE . 36.5 mttt -116.63 -29.47 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 p -136.17 145.02 45.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 24' ' ' PHE . 3.5 mt -117.56 158.41 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -151.73 108.28 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.456 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.2 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.527 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 14.8 tt -124.3 153.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -136.09 106.81 6.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' N ' HD21 ' A' ' 11' ' ' LEU . 3.2 mm? -91.05 154.17 19.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -134.14 118.68 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.0 t -49.79 -43.52 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 38.1 mt-10 -102.93 155.85 36.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.72 163.01 39.82 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 63.65 32.93 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 53.25 45.56 28.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 57.1 mm-40 -116.17 178.58 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 -156.38 23.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -64.03 154.63 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.9 137.42 23.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -130.41 122.66 28.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -105.3 139.91 39.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 51.1 m-85 -126.58 139.35 53.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.86 -33.38 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -103.36 166.12 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.4 m -65.06 107.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.2 m -94.41 149.97 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -117.97 -18.09 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -136.12 141.83 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.406 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 29.7 mm -107.32 145.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' N ' HG21 ' A' ' 31' ' ' ILE . 24.7 m-20 -52.02 102.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 55.09 32.0 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.89 36.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.27 116.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -53.95 160.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 39' ' ' SER . 23.6 m -143.9 116.62 8.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.439 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 13.3 mtpt -87.77 -29.86 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG2' ' A' ' 37' ' ' THR . 13.2 p -132.87 158.24 43.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -145.8 172.17 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -140.51 119.28 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 59.9 t -105.35 133.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.5 t -148.02 107.53 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.2 66.47 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 104.42 164.02 24.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.8 m -83.14 162.18 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.527 ' CD2' ' HB ' ' A' ' 9' ' ' ILE . 48.8 m95 -135.01 129.2 33.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.415 ' CG1' ' HB2' ' A' ' 59' ' ' GLN . 45.1 t -104.86 129.27 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' A' ' 81' ' ' PHE . 3.2 m -119.53 113.01 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 18.2 m-85 -93.25 142.05 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.05 -12.74 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.65 168.98 13.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.443 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -85.03 152.69 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.821 0.344 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 17.3 m-80 63.57 35.19 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 56.92 47.85 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -114.49 143.53 44.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -161.54 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -54.14 175.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.462 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 9.1 pt20 -152.24 130.76 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.465 ' CG ' ' SG ' ' A' ' 75' ' ' CYS . 82.0 m-85 -122.08 107.64 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -88.94 120.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -100.79 123.54 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -74.7 164.06 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.38 116.35 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.69 -146.69 9.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -134.55 106.4 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 83.4 m-85 -98.79 102.04 13.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.699 0.761 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.23 24.03 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.4 m -140.23 175.88 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.4 mt -74.23 -44.14 54.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' GLY . 12.3 t -40.07 -64.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.24 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.505 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 27.5 mtp -73.93 -25.31 59.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.5 -30.45 7.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 60' ' ' TYR . 87.6 m -55.06 149.01 26.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.4 24.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 89.03 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.75 43.93 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.39 158.93 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -139.68 131.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.0 m-85 -93.5 139.46 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -116.47 -25.23 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.8 p -143.39 151.31 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' CD2' HG12 ' A' ' 49' ' ' VAL . 1.3 mt -124.05 151.52 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -137.36 109.55 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -125.78 123.97 39.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -147.47 158.58 44.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.09 -127.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -77.66 128.59 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -64.1 153.69 36.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -130.77 149.07 19.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -163.74 152.51 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.55 HG23 ' CE3' ' A' ' 47' ' ' TRP . 18.3 tt -127.31 143.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.796 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t60 -122.56 109.38 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.406 HD11 ' CG2' ' A' ' 37' ' ' THR . 2.5 mm? -96.92 147.53 23.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.796 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 57.6 m-85 -134.09 116.86 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 t -46.28 -48.34 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.412 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 34.2 mm-40 -95.65 158.16 34.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 163.83 36.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 62.7 33.27 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.468 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 m-85 53.53 45.2 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.412 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 60.7 mt-30 -117.89 178.38 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.57 -143.6 45.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -68.4 154.06 42.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.758 0.313 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -141.79 145.48 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.426 ' CD ' ' CE2' ' A' ' 35' ' ' PHE . 33.1 mt-30 -149.56 122.67 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -107.71 141.3 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -128.29 117.98 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.14 -30.53 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.12 169.78 8.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.1 m -61.78 119.77 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.9 m -99.55 152.41 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -116.84 -32.09 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -134.27 135.24 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.5 mm -89.58 146.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.03 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.99 32.04 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 p 46.89 38.24 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.29 118.05 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 p -53.1 162.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.406 ' CG2' HD11 ' A' ' 11' ' ' LEU . 51.5 m -145.44 115.01 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -89.33 -38.23 14.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -125.52 154.02 42.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -143.6 168.89 18.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -140.29 108.62 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 43' ' ' SER . 41.6 t -89.41 142.28 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.458 ' N ' HG11 ' A' ' 42' ' ' VAL . 1.5 m -154.56 106.83 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.403 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 82.93 82.3 0.92 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.12 161.48 37.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.4 m -83.58 165.39 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CE3' HG23 ' A' ' 9' ' ' ILE . 43.8 m95 -138.38 130.13 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 50' ' ' TYR . 80.1 t -102.44 131.09 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 m -116.47 118.72 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' HG11 ' A' ' 48' ' ' VAL . 2.1 m-85 -103.52 130.22 50.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.04 -16.4 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.98 163.83 12.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.426 ' HG3' ' CD ' ' A' ' 82' ' ' LYS . 37.1 mt-10 -79.94 157.15 26.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 62.29 35.68 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.27 43.11 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -107.87 164.45 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 -145.21 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -83.03 152.15 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -126.44 134.94 50.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -130.26 107.24 9.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.4 m -74.22 166.72 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -142.87 123.64 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.99 173.09 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.81 118.22 16.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.65 -164.86 38.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -119.17 114.78 22.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -102.53 102.02 23.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -30.74 21.75 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.6 p -136.04 176.5 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 73' ' ' MET . 14.1 mt -77.06 -50.37 13.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.1 t -36.58 -55.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.28 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' LEU . 25.2 mtp -75.79 -30.03 58.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -32.93 5.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.2 m -52.21 143.84 24.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.03 43.64 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.728 2.285 . . . . 0.0 112.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 89.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.34 44.9 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.6 143.8 32.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.077 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.5 m -128.72 113.1 14.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.87 134.8 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 73.8 mttt -113.3 -31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 p -132.02 157.05 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -134.8 152.84 52.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -140.51 104.67 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.478 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 3.1 t80 -65.51 122.25 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.463 HD12 ' CG2' ' A' ' 48' ' ' VAL . 3.7 mt -101.3 117.2 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' GLY . 26.1 t -70.78 3.64 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' SER . . . 33.86 -96.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 88' ' ' SER . 54.0 Cg_endo -69.74 144.96 55.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.8 t -143.99 126.86 16.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -60.31 -54.79 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -106.28 148.4 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -103.77 146.8 28.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.12 122.4 2.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -103.33 157.77 16.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -107.59 133.77 51.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . -109.35 136.97 13.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -157.8 129.67 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 19.1 tt -101.71 144.92 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.51 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t60 -127.54 110.39 12.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.8 mm? -96.93 151.48 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.51 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 79.0 m-85 -134.15 112.97 11.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.0 t -43.24 -50.41 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.407 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 10.8 mt-10 -94.8 158.45 35.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 164.7 33.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 60.99 32.67 19.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.459 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 54.65 45.88 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 31.3 mt-30 -117.47 178.21 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.04 -154.24 44.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -59.42 148.72 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 p -138.06 141.8 40.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.449 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 81.0 mt-30 -144.67 126.87 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p -111.27 147.9 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -130.18 133.64 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -103.5 -33.56 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.08 165.34 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.2 m -55.84 112.49 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.2 m -89.62 149.72 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.3 p -117.93 -30.34 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -137.58 131.25 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.1 mm -86.18 145.33 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 31' ' ' ILE . 4.4 m-20 -52.02 102.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 56.03 32.0 19.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 p 45.42 38.08 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -56.01 118.1 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 p -52.48 162.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 HG22 ' CD1' ' A' ' 11' ' ' LEU . 29.0 m -147.47 116.5 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -90.38 -29.87 17.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -133.48 153.86 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.45 172.65 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -143.99 113.11 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.77 135.31 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -149.86 106.15 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 85.97 84.83 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 90' ' ' PRO . . . 87.59 162.27 37.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.0 m -82.37 163.82 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.8 m95 -139.33 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.516 HG11 ' CZ ' ' A' ' 50' ' ' TYR . 12.9 t -100.46 130.06 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 m -115.17 121.34 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.516 ' CZ ' HG11 ' A' ' 48' ' ' VAL . 24.6 m-85 -103.04 142.12 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.54 -12.53 59.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.07 166.92 12.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.94 150.99 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 66.47 39.15 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 55.06 42.39 30.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -106.9 169.09 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.34 -163.76 50.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -70.33 143.39 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -116.23 142.05 47.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -134.95 104.46 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 m -69.15 161.5 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -142.54 122.91 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -81.66 164.27 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.05 124.94 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.54 -171.45 40.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.39 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 97.5 m-85 -100.05 102.0 16.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.682 0.753 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -29.7 23.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.29 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.18 170.53 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' MET . 51.4 mt -67.13 -48.19 68.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.2 t -38.04 -60.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -37.49 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.452 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 25.3 mtp -75.28 -27.5 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.15 -33.97 5.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 56.4 m -55.46 151.65 19.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.09 54.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 84.81 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.07 42.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.68 162.08 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.1 m -141.02 124.24 16.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -87.9 135.57 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -110.92 -32.82 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.0 p -135.8 168.03 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mt -142.32 157.96 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.6 ttt85 -145.27 104.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.566 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 3.3 t80 -69.18 111.37 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 48' ' ' VAL . 9.4 mt -89.74 103.77 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 t -54.99 104.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.29 114.17 3.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.413 ' N ' ' HA2' ' A' ' 45' ' ' GLY . 54.3 Cg_endo -69.78 3.03 3.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.364 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t -97.68 169.42 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -116.89 110.16 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -71.45 -56.07 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.2 p -150.86 159.99 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.77 50.91 0.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 m -86.69 -44.32 11.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.376 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -46.01 -27.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 161.7 137.31 2.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -157.78 135.95 10.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.706 0.288 . . . . 0.0 110.94 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 tt -111.58 137.17 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.575 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.2 t60 -121.96 107.76 12.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.503 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.3 mm? -94.97 151.43 19.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 33.1 m-85 -134.5 118.11 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.8 p -49.57 -35.09 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -109.58 157.77 36.53 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.634 0.731 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 62.35 34.45 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.499 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.7 m-85 52.1 44.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -113.64 178.19 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -156.99 30.52 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -61.99 144.23 55.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.814 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.0 p -136.49 143.75 43.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -141.19 135.19 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -117.75 149.16 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 70.5 m-85 -133.26 138.74 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -109.03 -28.12 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -109.86 163.25 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 m -59.1 102.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 29' ' ' SER . 85.5 m -87.81 146.61 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.459 ' N ' HG22 ' A' ' 28' ' ' THR . 28.2 t -117.9 -23.63 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -131.86 137.96 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 20.1 mm -100.46 146.25 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.0 102.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.6 t0 56.5 32.05 20.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 p 46.09 38.02 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -57.92 116.88 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 73.8 m -57.24 162.47 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.6 m -142.07 117.96 10.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -88.3 -27.5 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 p -138.26 153.94 49.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 p -144.95 167.89 21.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -139.5 111.43 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 85.9 t -99.31 140.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.5 114.16 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.423 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 89.73 58.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 106.65 159.34 21.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.462 ' CB ' HD12 ' A' ' 87' ' ' ILE . 65.6 m -79.77 165.22 23.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.478 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 30.2 m95 -141.65 134.16 28.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 50' ' ' TYR . 97.0 t -104.08 137.18 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.559 HG23 ' CE1' ' A' ' 81' ' ' PHE . 4.5 m -122.6 120.57 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CZ ' HG11 ' A' ' 48' ' ' VAL . 3.0 m-85 -100.18 135.94 40.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -69.98 -15.68 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.66 168.98 14.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -85.25 153.82 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.459 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 28.8 m-80 64.93 34.15 9.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER 55.54 45.95 23.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.1 p -105.41 176.74 5.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.33 -143.12 38.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -85.3 163.25 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -131.59 137.2 48.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -130.93 117.66 19.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.436 HG12 ' CG2' ' A' ' 48' ' ' VAL . 10.7 m -82.77 166.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.0 mt -141.85 124.62 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -72.76 162.92 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.73 120.71 15.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.6 -174.86 36.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.522 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -103.49 121.46 42.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.71 102.03 48.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -28.72 24.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 p -138.02 175.44 9.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.61 -47.89 29.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -39.28 -57.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.81 -37.86 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 mtp -74.76 -29.68 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.61 -34.39 5.16 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 64.8 m -52.1 149.41 9.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.8 33.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 86.51 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.51 41.39 0.36 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.74 123.96 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 51.9 m -108.46 118.57 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CE1' HG23 ' A' ' 49' ' ' VAL . 3.8 m-85 -80.94 137.76 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -117.9 -27.44 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -141.96 145.18 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.591 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 2.3 mt -119.13 161.03 21.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -148.09 109.19 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.478 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.8 t80 -68.7 112.28 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 48' ' ' VAL . 3.1 mt -92.07 103.39 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -64.07 104.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.22 -103.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.49 2.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.623 2.216 . . . . 0.0 112.381 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.5 m -85.11 -59.87 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -120.33 104.04 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 p 52.02 40.09 27.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -69.12 153.35 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.82 52.27 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -65.58 -57.86 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -159.97 165.16 32.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . -92.26 144.63 17.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -156.45 137.45 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 13.4 tt -116.43 141.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.585 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -126.64 109.22 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -97.27 152.46 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 38.4 m-85 -134.74 116.38 14.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 t -45.7 -49.54 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.62 157.17 35.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.07 28.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 62.52 31.94 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 52.13 43.44 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -117.01 178.36 4.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.39 48.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -59.55 153.26 20.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.2 p -139.15 139.58 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -142.18 119.95 11.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -108.77 143.52 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.403 ' CD2' ' OG1' ' A' ' 28' ' ' THR . 84.3 m-85 -128.66 107.86 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.65 -33.91 64.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.17 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 28' ' ' THR . 31.3 m -57.01 143.74 36.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 27' ' ' THR . 55.3 m -121.77 148.58 44.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.6 p -114.97 -31.15 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -138.74 120.15 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 48.9 mm -71.77 144.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.452 ' N ' HG21 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -51.96 102.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t0 56.68 31.99 20.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 p 46.15 34.94 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.5 p90 -55.25 116.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.471 ' HG ' ' N ' ' A' ' 37' ' ' THR . 29.8 t -53.28 163.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 36' ' ' SER . 70.2 m -150.24 126.42 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -98.57 -29.58 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -130.77 155.39 46.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.8 p -147.05 169.7 18.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -141.09 114.96 9.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 43' ' ' SER . 90.5 t -101.53 138.56 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.47 ' N ' HG13 ' A' ' 42' ' ' VAL . 5.1 t -156.79 111.09 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.44 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 92.75 56.92 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.2 161.08 21.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.416 ' CB ' HD13 ' A' ' 87' ' ' ILE . 58.7 m -80.76 165.43 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.539 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 37.0 m95 -139.85 129.79 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.503 ' CG2' HD12 ' A' ' 87' ' ' ILE . 3.5 t -95.02 123.9 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 m -112.39 113.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 4.2 m-85 -101.74 143.7 31.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -86.78 17.21 4.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.72 151.04 22.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -65.84 150.52 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 62.45 35.19 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 53.41 41.67 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.2 p -97.79 172.44 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.19 -128.07 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -100.52 166.11 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.519 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 pt20 -137.18 140.53 41.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -137.22 119.5 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.61 151.65 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -127.77 122.77 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.44 175.88 8.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.64 118.83 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.38 155.34 7.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.433 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -81.96 105.67 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -93.12 106.47 19.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.729 0.776 . . . . 0.0 110.944 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -32.82 17.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -137.9 172.75 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 73' ' ' MET . 46.5 mt -70.23 -45.24 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -37.8 -53.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.08 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' LEU . 28.8 mtp -75.29 -29.61 60.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.82 -34.4 5.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 23.1 m -52.64 154.21 4.92 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.77 20.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 111.67 2.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.29 43.01 5.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.55 139.03 30.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -118.96 108.38 14.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.76 140.37 47.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.418 ' C ' HG12 ' A' ' 31' ' ' ILE . 26.0 mttt -117.48 -34.94 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -133.85 148.8 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -124.51 155.47 38.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -142.32 106.06 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 t80 -74.03 111.85 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.503 HD12 ' CG2' ' A' ' 48' ' ' VAL . 4.2 mt -90.35 103.61 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.0 p -60.21 101.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.462 ' N ' ' HD2' ' A' ' 90' ' ' PRO . . . -77.01 -59.7 3.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 89' ' ' GLY . 53.6 Cg_endo -69.74 11.6 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.447 ' H ' ' C ' ' A' ' 89' ' ' GLY . 87.0 p -52.8 129.7 30.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.9 t -82.65 -53.5 5.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.468 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 t -138.25 113.45 9.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -83.63 -50.12 8.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.58 -104.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 p 52.14 38.93 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -113.43 -23.1 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.547 ' HA3' ' CZ ' ' A' ' 86' ' ' PHE . . . 88.3 130.34 3.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.464 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -157.7 133.22 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.55 HG21 ' CZ3' ' A' ' 47' ' ' TRP . 17.1 tt -119.36 144.87 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.794 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 6.7 t60 -136.34 118.64 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -103.2 153.04 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.794 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 98.9 m-85 -131.95 112.58 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -42.28 -49.7 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 15.8 mt-10 -96.73 156.84 36.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 163.3 38.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 64.79 32.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.423 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 4.1 m-85 54.54 46.61 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 92.0 mm-40 -121.67 177.64 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.34 -161.05 48.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -52.89 155.63 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -136.58 140.0 42.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -146.91 120.07 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.1 p -110.26 151.52 27.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.522 ' CE1' HD13 ' A' ' 84' ' ' LEU . 34.0 m-85 -130.67 138.08 49.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -104.6 -32.22 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -118.42 169.16 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.6 m -56.57 112.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 29' ' ' SER . 60.7 m -93.26 149.24 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.424 ' N ' HG21 ' A' ' 28' ' ' THR . 49.1 p -117.75 -25.99 6.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 143.4 50.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.42 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 43.4 mm -107.4 154.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.05 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.75 31.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.0 p 56.59 35.89 26.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -54.78 116.22 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -56.54 153.37 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.544 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 50.6 m -134.99 127.61 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -126.89 153.87 45.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 p -144.2 171.95 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -142.44 110.42 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 98.7 t -100.21 135.88 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -157.92 109.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 35.96 4.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.485 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 124.35 163.8 11.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -80.93 164.99 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 34.0 m95 -142.5 130.34 21.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.523 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 25.9 t -101.97 128.8 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 m -115.24 118.41 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.523 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 1.5 m-85 -100.8 138.2 38.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -14.25 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.3 163.02 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.56 151.31 36.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 65.1 38.38 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 53.31 42.37 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.6 p -102.25 174.92 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.93 -150.74 48.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -79.43 148.63 31.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.455 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 5.0 pp0? -121.17 142.24 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.81 115.2 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.7 m -82.29 163.95 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 mt -139.05 123.97 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.66 168.55 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.44 116.68 6.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.14 158.75 9.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -85.81 111.73 20.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -97.94 102.06 12.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -31.57 20.48 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.41 174.0 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 73' ' ' MET . 19.2 mt -74.01 -49.08 26.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 74' ' ' GLY . 6.4 t -38.16 -61.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.2 -37.33 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' LEU . 30.4 mtp -75.02 -29.7 60.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 99.53 18.71 22.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.1 m -97.69 151.73 37.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.8 33.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.75 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.25 40.35 5.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.31 140.92 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -126.74 122.32 34.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 1.5 m-85 -81.47 139.51 35.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -117.99 -29.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 p -139.0 151.0 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 24' ' ' PHE . 6.8 mt -126.61 155.38 42.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -143.5 103.89 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 6.1 t80 -67.44 111.68 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.484 HD13 ' CG2' ' A' ' 48' ' ' VAL . 7.2 mt -91.03 102.08 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -62.84 108.16 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.11 -120.84 4.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.359 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.3 t -80.91 -54.74 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.9 m 59.74 42.23 17.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 p -41.92 -54.14 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.821 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -75.06 125.43 28.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.73 48.7 4.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -78.25 151.96 32.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -134.21 128.69 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . -177.55 144.67 6.75 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.415 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.471 ' NE2' ' HG3' ' A' ' 25' ' ' GLU . 35.8 tt0 -157.92 135.5 10.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.944 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.523 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 20.3 tt -113.9 137.1 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -123.54 110.29 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.6 mm? -98.16 150.83 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.436 ' CG ' ' HA ' ' A' ' 17' ' ' PHE . 9.3 m-85 -134.21 114.24 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -43.77 -42.25 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -102.62 155.19 36.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 162.56 41.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 66.28 32.04 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.436 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.6 m-85 52.83 45.44 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -119.42 178.05 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.09 -158.01 38.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -58.01 134.5 56.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.9 p -126.13 136.83 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.92 121.0 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 p -109.28 145.34 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -127.12 121.92 32.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' HG3' ' NE2' ' A' ' 8' ' ' GLN . 29.6 mt-10 -86.73 -36.32 18.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.63 171.05 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.0 m -59.64 133.26 55.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -115.05 148.63 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -112.33 -31.07 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -135.68 142.64 45.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 50.5 mm -96.36 145.74 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 102.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t0 57.21 32.04 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.2 p 46.05 35.57 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 1.4 p90 -56.24 116.98 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 20.0 m -52.36 164.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.0 m -146.59 118.48 8.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -92.41 -37.61 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -123.86 158.13 32.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.0 p -146.04 172.0 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.03 113.2 7.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.72 136.27 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 t -156.06 110.52 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.482 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 89.79 70.97 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.81 162.77 32.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 m -80.45 163.62 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 34.3 m95 -140.19 122.53 15.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.514 HG12 ' CZ ' ' A' ' 50' ' ' TYR . 6.5 t -94.33 127.03 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 m -111.09 118.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -110.69 126.34 54.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.964 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.26 12.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.68 146.76 16.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.75 143.14 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 67.85 32.47 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 56.93 44.16 23.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -106.84 163.95 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.29 -133.54 11.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -100.23 147.99 25.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.457 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 1.7 pm0 -120.35 142.33 49.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 3.3 m-85 -136.96 108.35 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 m -71.03 168.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.1 mt -145.83 124.14 12.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.96 169.94 17.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.5 114.64 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.11 170.23 31.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.03 115.33 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -98.75 101.96 13.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.632 0.73 . . . . 0.0 110.968 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -33.2 17.07 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.1 p -137.29 174.07 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.44 -43.69 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -40.42 -61.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -38.03 18.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.0 mtp -74.11 -28.54 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.39 -32.81 6.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.1 m -55.03 147.75 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.85 44.33 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 81.62 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.254 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.72 55.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.5 m -112.7 113.84 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.44 142.98 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -117.89 -35.57 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.5 p -136.48 153.71 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 mt -126.74 163.07 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -149.75 106.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 t80 -72.25 111.74 7.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 48' ' ' VAL . 6.3 mt -90.23 102.2 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.19 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.7 t -57.91 103.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.83 140.99 7.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -179.69 3.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.5 t -139.31 140.1 37.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.9 t -137.09 104.22 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -64.94 -50.18 67.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -51.41 -42.76 61.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.83 124.49 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -121.02 120.72 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -62.62 166.18 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -95.3 151.09 19.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -164.02 154.19 14.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.484 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 12.2 tt -128.44 154.47 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.7 t60 -139.7 109.98 6.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 11' ' ' LEU . 2.5 mm? -98.65 152.6 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 86.5 m-85 -134.16 113.6 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -41.58 -49.58 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 44.4 mm-40 -96.41 157.61 35.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 166.04 28.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 60.76 31.96 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.404 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.9 m-85 55.4 45.54 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 27.2 mm100 -115.86 178.2 4.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.25 -158.1 31.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.6 p -147.18 141.14 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -144.29 123.53 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.5 p -108.33 140.94 40.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -128.61 134.48 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -106.56 -33.13 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -105.78 171.52 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.7 m -64.43 106.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 m -86.81 147.56 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -114.71 -30.82 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -132.76 142.51 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.21 147.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.07 102.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.78 32.0 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 p 46.18 33.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.2 p90 -52.34 118.04 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 34.5 m -52.04 158.51 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.461 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 98.2 m -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -100.7 -35.47 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 p -127.82 154.81 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.415 ' SG ' ' SD ' ' A' ' 73' ' ' MET . 14.7 p -145.86 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' HIS . 6.8 ttm180 -141.91 108.58 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.06 142.53 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.77 116.0 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.91 62.03 1.63 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 161.54 24.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.8 m -79.1 164.74 24.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.484 ' CD2' ' HB ' ' A' ' 9' ' ' ILE . 29.0 m95 -141.58 128.66 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.481 HG12 ' CZ ' ' A' ' 50' ' ' TYR . 92.5 t -99.91 128.18 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.73 120.64 63.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.481 ' CZ ' HG12 ' A' ' 48' ' ' VAL . 2.3 m-85 -103.9 146.85 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -82.8 -18.11 41.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.08 161.11 13.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 40.2 mt-10 -77.17 152.95 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.437 ' ND2' ' C ' ' A' ' 53' ' ' GLU . 1.2 m-80 66.58 33.75 6.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 54.2 41.55 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.1 p -101.95 168.13 9.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.05 -140.64 23.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -89.01 161.92 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 17.2 pt20 -132.15 144.21 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -136.99 105.28 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 m -72.84 151.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 mt -129.21 122.68 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.87 176.08 8.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.47 113.26 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.59 157.05 10.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 5.4 p80 -81.02 111.52 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 73' ' ' MET . 97.4 m-85 -98.46 102.08 13.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.43 10.79 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.4 t -135.42 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 73' ' ' MET . 37.3 mt -70.11 -44.46 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -36.29 -61.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.85 -35.12 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.565 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 14.8 mtm -76.51 -30.31 57.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.6 -29.55 11.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 33.0 m -53.79 151.89 10.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.89 40.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 91.87 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.37 43.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.02 114.06 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.3 m -98.18 120.41 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.461 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 2.7 m-85 -83.26 138.36 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -117.94 -31.67 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.2 p -137.12 153.76 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -129.95 156.28 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -142.43 104.79 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.51 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 4.4 t80 -67.29 110.67 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.448 ' CD1' HG23 ' A' ' 48' ' ' VAL . 4.8 mt -89.32 103.78 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.2 p -58.44 102.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.38 138.56 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 5.22 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -61.49 -57.1 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.4 m -149.56 150.45 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 t -41.84 -54.82 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -124.88 164.72 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.79 123.4 5.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p -107.06 154.04 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.482 ' O ' ' CE2' ' A' ' 86' ' ' PHE . 65.3 p -109.81 17.98 20.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 93.08 129.88 5.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -151.46 173.43 14.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.567 HG22 ' CZ3' ' A' ' 47' ' ' TRP . 19.0 tt -150.67 135.45 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 t60 -122.93 117.7 26.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 1.5 mm? -102.2 155.51 18.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 69.8 m-85 -134.24 113.86 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -43.7 -45.63 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 36.3 mt-10 -100.58 156.07 35.63 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 165.4 31.13 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 62.51 32.39 16.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 54.11 46.8 24.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 91.0 mt-30 -118.09 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.63 -161.06 23.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -60.25 149.3 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.466 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 78.1 p -147.5 144.73 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -132.93 156.12 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.413 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 11.1 p -130.15 138.4 50.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -131.41 133.19 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.19 -33.02 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -105.11 162.54 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -59.93 106.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 m -94.03 151.24 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.467 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -117.96 -21.46 8.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.467 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 22.2 mp0 -129.19 148.05 51.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 32' ' ' ASP . 37.0 mm -113.61 145.98 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -51.29 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 55.82 31.98 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 43.96 38.3 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -57.14 118.69 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.558 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 28.4 p -52.05 163.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 33.7 m -145.67 110.14 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -85.82 -33.51 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 p -129.36 150.83 50.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -142.62 169.02 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -141.7 105.98 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 43' ' ' SER . 85.5 t -84.88 149.33 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.431 ' N ' HG13 ' A' ' 42' ' ' VAL . 1.6 m -158.03 105.71 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 87.37 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.44 162.03 30.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -77.7 164.61 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.567 ' CZ3' HG22 ' A' ' 9' ' ' ILE . 25.9 m95 -140.32 134.17 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.531 HG12 ' CE1' ' A' ' 50' ' ' TYR . 17.8 t -100.79 137.65 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 m -125.01 114.27 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 9.7 m-85 -100.15 150.34 22.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.98 17.91 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.63 143.15 13.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.78 144.62 56.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 68.04 34.48 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 83' ' ' SER . 6.4 m-85 56.74 47.96 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.8 p -107.92 155.79 19.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.58 -132.79 11.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -98.75 169.23 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 7.9 pt20 -138.94 140.61 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -137.06 111.97 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.0 m -73.23 166.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mt -144.9 125.55 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -76.15 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.22 115.68 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 170.71 -162.18 35.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -119.38 118.55 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.97 101.94 46.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.682 0.753 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.33 23.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.2 m -138.56 170.97 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 73' ' ' MET . 46.5 mt -70.93 -47.46 58.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.2 t -37.37 -62.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.26 -37.25 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.7 mtp -76.04 -26.95 57.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.74 -32.34 7.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 89.9 m -53.65 150.45 13.29 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 163.15 39.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 93.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.14 48.83 0.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.88 138.7 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.0 m -121.16 107.84 13.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.45 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 3.6 m-85 -69.26 137.38 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -118.01 -28.67 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.491 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 51.1 p -141.28 145.05 35.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.0 mt -119.62 157.3 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -143.35 108.12 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.3 t80 -77.49 106.08 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.424 HD12 ' CG2' ' A' ' 48' ' ' VAL . 6.2 mt -83.71 102.7 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.2 p -60.76 105.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -91.83 -113.98 1.96 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.1 p -146.69 170.73 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.0 p -59.27 147.68 34.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -89.21 -56.96 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -82.9 142.93 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.95 112.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -92.23 141.57 28.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -49.93 -23.86 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.527 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -145.56 162.24 28.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -157.52 132.2 8.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.575 HG22 ' CZ3' ' A' ' 47' ' ' TRP . 18.1 tt -117.7 137.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.0 t60 -126.93 108.78 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -93.65 155.21 17.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 77.2 m-85 -133.87 117.77 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -46.56 -45.35 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.43 156.42 35.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.4 Cg_endo -69.81 165.85 29.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 62.48 33.82 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 52.54 41.57 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -115.41 178.93 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.14 -160.66 26.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -56.88 149.15 19.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.3 p -143.25 141.27 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -137.03 139.17 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.423 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 19.6 p -117.37 142.48 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.536 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 78.5 m-85 -127.97 109.18 11.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.71 -34.24 58.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -115.73 171.11 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.2 m -58.25 133.45 55.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 m -108.29 151.02 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -113.13 -32.58 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -141.59 126.14 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 32' ' ' ASP . 42.3 mm -77.15 145.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.532 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -52.02 102.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.18 31.96 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 45.26 39.79 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -55.72 117.17 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 p -52.21 158.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.5 m -147.31 121.48 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 11.3 mttm -96.45 -32.03 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 p -125.25 155.27 40.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 p -143.01 172.01 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -145.42 113.39 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 43' ' ' SER . 45.4 t -101.38 140.46 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.444 ' N ' HG12 ' A' ' 42' ' ' VAL . 1.6 m -157.69 108.92 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 91.48 58.31 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.45 163.89 21.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.3 m -84.33 165.56 18.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.575 ' CZ3' HG22 ' A' ' 9' ' ' ILE . 32.6 m95 -140.6 134.93 31.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.491 HG12 ' CZ ' ' A' ' 50' ' ' TYR . 3.3 t -99.22 137.52 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.26 113.75 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.491 ' CZ ' HG12 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -100.63 142.59 31.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.14 -13.43 59.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -111.03 163.58 12.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 82' ' ' LYS . 15.1 mt-10 -79.49 153.69 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.446 HD21 ' N ' ' A' ' 54' ' ' ASN . 1.7 m-80 62.82 36.26 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 56.53 47.39 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.0 p -107.57 159.44 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.79 -152.47 31.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -77.61 153.18 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.458 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 7.6 pt20 -125.45 136.89 53.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -129.76 114.1 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 m -78.13 165.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.4 mt -138.63 123.25 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -81.73 163.22 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.33 111.47 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.81 156.12 10.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.34 110.8 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 103.12 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 110.92 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.26 17.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 56.3 m -139.26 177.64 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 73' ' ' MET . 14.1 mt -72.18 -47.92 47.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.4 t -37.53 -59.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.7 -37.81 52.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.8 mtp -74.5 -29.78 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.88 -33.74 5.73 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.2 m -52.34 152.05 6.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 160.89 48.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 90.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.69 43.25 0.46 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.79 148.83 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.5 m -130.36 108.11 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -71.44 136.59 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.421 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 37.2 mttt -114.96 -30.21 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.8 p -135.95 153.78 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.536 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 12.0 mt -128.73 156.47 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 62.5 ttt-85 -145.88 102.6 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.571 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.8 t80 -66.62 110.47 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.453 HD12 ' CG2' ' A' ' 48' ' ' VAL . 5.3 mt -85.33 102.06 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.3 p -62.97 104.85 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.92 -113.96 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 100.26 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -105.23 176.33 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.7 t -77.03 123.98 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 52.48 41.5 30.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -70.49 -49.83 44.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.6 41.9 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -86.13 122.31 29.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m -65.92 138.49 57.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -99.71 157.16 19.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -157.99 125.48 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.504 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 14.1 tt -102.87 149.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.708 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -135.95 106.05 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 37' ' ' THR . 2.7 mm? -100.87 143.21 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.708 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 33.0 m-85 -124.57 115.64 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -39.54 -48.64 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 5.5 mm-40 -97.02 155.29 37.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 63.65 33.28 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 53.34 44.81 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.42 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 66.7 mt-30 -118.49 177.8 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.03 -158.83 29.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -54.06 153.19 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 p -145.43 140.26 27.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -142.71 131.84 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 p -113.96 143.81 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 62.7 m-85 -126.86 130.5 50.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.98 -32.2 10.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 170.13 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -58.75 124.02 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 29' ' ' SER . 95.7 m -103.61 145.13 30.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 28' ' ' THR . 67.7 p -112.08 -26.49 8.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -141.86 124.76 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.425 HG12 ' C ' ' A' ' 82' ' ' LYS . 46.2 mm -83.11 150.58 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -52.02 103.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t70 53.2 32.01 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 44.85 35.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -52.05 121.89 7.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.7 m -51.99 147.42 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.468 HG21 ' CD1' ' A' ' 11' ' ' LEU . 85.7 m -126.04 111.33 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -93.94 -36.34 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.8 p -125.93 151.37 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.432 ' CB ' ' CD1' ' A' ' 11' ' ' LEU . 31.6 p -142.87 168.78 18.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -145.55 102.03 3.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.3 137.58 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.34 104.12 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.493 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 95.15 67.21 1.0 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.95 167.02 28.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.506 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 m -85.17 163.05 18.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 27.2 m95 -140.0 125.94 19.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.517 ' CG1' ' CZ ' ' A' ' 50' ' ' TYR . 58.8 t -98.47 122.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.451 ' HB ' ' CG ' ' A' ' 81' ' ' PHE . 4.2 m -105.57 121.63 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -109.82 126.53 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.52 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.9 t70 -80.25 14.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.43 125.31 4.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 11.9 mt-10 -51.99 147.41 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 29.0 m-80 64.73 35.83 8.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' A' ' 83' ' ' SER . 17.3 m-85 52.94 43.32 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -105.32 162.17 13.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.23 -136.32 14.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -95.97 170.18 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.474 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 15.6 pt20 -138.97 135.45 34.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -130.77 116.27 17.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.5 m -78.7 167.67 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -146.59 123.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -81.64 160.66 23.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.58 122.77 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.64 157.44 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -83.28 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.475 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 83.4 m-85 -106.15 102.02 37.61 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.689 0.757 . . . . 0.0 110.934 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -34.45 14.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.59 173.64 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 73' ' ' MET . 40.7 mt -73.8 -47.57 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -39.77 -54.26 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.63 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.475 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 24.2 mtp -75.31 -29.23 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.78 -35.6 4.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.3 m -52.47 155.44 3.7 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 160.69 48.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.38 49.43 0.52 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.5 155.78 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.419 HG22 ' CE ' ' A' ' 82' ' ' LYS . 55.0 m -134.47 110.6 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.451 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 5.2 m-85 -78.89 135.52 37.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -112.4 -28.66 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.53 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 52.3 p -137.15 155.1 49.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.436 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.0 mt -131.97 165.39 24.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -152.25 102.15 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 3.4 t80 -66.4 107.86 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.48 HD11 ' CG2' ' A' ' 48' ' ' VAL . 7.8 mt -84.28 102.02 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.2 p -60.92 102.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.15 121.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 173.24 11.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.7 m -79.8 124.63 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.4 m -95.87 144.4 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.447 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -66.3 -56.45 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 t -145.38 132.49 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.57 128.75 7.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -89.06 -46.19 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -114.12 163.8 14.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -97.55 149.56 19.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.457 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -151.46 149.53 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 tt -126.41 143.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.795 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.6 t60 -129.16 110.45 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.66 146.3 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.795 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 10.2 m-85 -134.13 112.59 11.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -38.71 -44.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 18.5 mt-10 -99.26 155.66 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' CG ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.81 166.75 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.15 32.19 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 54.57 47.02 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 23.9 mm100 -120.77 177.79 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.38 -157.89 46.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -52.21 136.36 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 p -120.23 137.11 54.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.57 119.77 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.0 p -116.74 141.4 48.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -125.18 139.87 53.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 -36.27 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -100.68 167.55 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.1 m -62.02 108.03 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -88.71 147.68 24.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -110.7 -32.97 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -132.93 145.9 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.402 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 43.7 mm -102.98 151.28 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.01 103.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 32.09 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 p 48.53 39.03 12.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.1 p90 -59.8 117.95 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 27.8 p -51.93 157.4 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.9 m -126.58 116.14 20.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 1.7 mmpt? -85.97 -38.46 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 p -135.09 159.53 41.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.99 168.14 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -144.46 102.95 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.3 t -96.06 138.79 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 t -157.87 104.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.436 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 101.92 53.34 0.97 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.46 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.03 175.2 19.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.47 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.43 ' C ' HD13 ' A' ' 87' ' ' ILE . 45.7 m -91.24 165.04 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.545 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 43.4 m95 -145.99 115.62 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 90.3 t -90.64 131.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 81' ' ' PHE . 7.0 m -115.93 121.47 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.521 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 10.3 m-85 -102.31 130.59 49.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.38 -15.3 63.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.17 159.63 13.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -76.89 156.22 32.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 66.26 32.12 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 51.87 48.04 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -111.67 170.5 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.76 -144.47 28.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -79.65 155.96 27.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.42 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -130.3 137.58 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -134.0 115.38 14.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.413 HG12 ' CG2' ' A' ' 48' ' ' VAL . 3.0 m -83.8 146.96 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mt -119.89 122.95 42.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.01 175.6 9.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -74.74 114.59 13.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.54 142.08 3.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -70.13 111.31 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -96.65 103.92 16.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.736 0.779 . . . . 0.0 110.891 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -34.31 14.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.742 2.294 . . . . 0.0 112.325 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.8 t -134.42 170.49 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 36.1 mt -73.5 -46.71 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.7 m -38.46 -53.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' LEU . 26.9 mtp -74.9 -30.18 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.45 -33.87 5.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 16.4 m -52.15 144.07 22.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.41 57.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 94.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.85 43.16 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.1 130.27 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -113.55 113.9 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 49' ' ' VAL . 7.1 m-85 -72.72 137.97 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -117.73 -33.23 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 p -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.72 156.19 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -141.78 112.7 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 12.4 t80 -81.22 105.33 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.478 HD12 ' CG2' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -94.32 103.51 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.6 p -57.04 105.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -86.18 -71.37 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 0.02 6.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.284 . . . . 0.0 112.367 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.1 m -122.88 132.91 54.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -77.13 106.32 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -68.73 -47.12 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -99.58 124.52 44.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.1 88.38 0.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 m -77.89 -60.45 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -84.33 105.97 15.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . -49.55 164.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -142.28 125.21 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.715 0.293 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.462 HD13 ' CB ' ' A' ' 47' ' ' TRP . 19.7 tt -111.89 137.47 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 2.3 t60 -124.49 109.66 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.5 ' N ' HD21 ' A' ' 11' ' ' LEU . 2.7 mm? -93.43 154.53 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -133.0 119.37 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -50.28 -49.86 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.96 157.63 34.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.84 33.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 62.59 32.22 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 52.36 42.0 30.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.74 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.06 -142.95 46.91 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -75.3 155.74 36.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -146.67 138.97 24.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -139.29 120.78 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.493 ' HB3' ' CG ' ' A' ' 10' ' ' HIS . 28.1 p -110.67 143.88 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.531 ' CD1' HD11 ' A' ' 84' ' ' LEU . 54.2 m-85 -123.97 103.74 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.89 -39.0 90.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 27' ' ' THR . 2.9 pp20? -110.39 177.82 4.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 28' ' ' THR . 96.9 m -58.58 146.0 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.456 ' N ' HG23 ' A' ' 27' ' ' THR . 54.3 m -123.27 146.8 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -110.62 -32.17 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -143.22 135.12 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 35.0 mm -88.56 147.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.04 102.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 54.13 32.07 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 p 45.85 37.41 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -52.4 115.43 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -52.19 149.29 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -133.95 112.09 10.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -85.14 -28.42 25.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 p -135.9 150.97 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.0 p -138.93 172.48 12.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -143.91 105.91 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 95.7 t -94.4 127.12 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.6 t -149.11 103.74 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.487 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 115.54 33.56 1.57 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.493 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.3 178.7 16.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 m -86.68 162.69 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.462 ' CB ' HD13 ' A' ' 9' ' ' ILE . 41.8 m95 -145.31 126.66 14.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.522 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 55.4 t -97.98 122.49 49.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 81' ' ' PHE . 11.3 m -109.33 125.93 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.522 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 5.3 m-85 -104.45 142.45 34.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.28 17.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.46 141.18 10.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -58.97 146.52 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 66.98 36.01 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 54.24 39.15 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -101.6 160.63 14.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.96 -128.72 9.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -99.5 175.59 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.449 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 6.7 pt20 -143.88 137.63 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -135.96 110.26 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.8 m -76.43 162.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -143.21 125.43 15.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.99 166.35 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.04 114.72 2.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.37 156.52 10.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.67 112.77 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -100.6 102.04 17.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.693 0.759 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -26.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.7 p -140.62 177.18 8.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' MET . 30.8 mt -77.34 -52.43 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' GLY . 22.8 t -35.03 -64.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.32 -37.2 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 32.1 mtp -74.4 -29.39 61.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.52 -34.0 5.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.5 m -52.0 158.06 1.9 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 170.11 17.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.6 48.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.89 134.12 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -123.51 109.65 14.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.7 m-85 -65.99 134.86 53.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -117.99 -32.32 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.9 p -140.47 150.83 44.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.531 HD11 ' CD1' ' A' ' 24' ' ' PHE . 5.5 mt -121.44 165.28 15.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 ttt-85 -156.27 107.31 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -71.37 105.49 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.465 HD12 ' CG2' ' A' ' 48' ' ' VAL . 5.3 mt -66.76 -69.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.9 p -168.67 162.35 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.471 ' HA2' ' CA ' ' A' ' 45' ' ' GLY . . . -116.64 -168.72 15.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.89 3.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 2.286 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.0 p -94.49 113.83 25.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -52.98 -49.04 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -63.97 -43.74 94.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.374 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 t -156.99 157.63 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.28 -151.09 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -63.83 155.94 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -145.18 157.58 44.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.51 163.97 30.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -144.51 138.77 27.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 tt -128.34 147.16 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -126.22 108.16 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 11' ' ' LEU . 2.9 mm? -97.93 148.2 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 2.6 m-85 -134.14 126.09 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.7 t -54.57 -42.53 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 49.5 mm-40 -101.68 156.22 35.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 165.73 29.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 62.6 33.61 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 52.45 43.85 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.408 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 75.4 mt-30 -118.16 178.95 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.31 -153.01 46.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -53.41 151.41 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.5 p -139.18 135.02 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 13.5 mt-30 -143.45 119.15 10.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -110.84 140.5 45.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -122.83 122.15 37.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -88.02 -34.2 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -116.41 173.82 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.3 m -56.74 135.26 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.7 m -116.19 146.44 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t -117.98 -20.83 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -137.56 148.12 45.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 mm -112.71 148.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.46 102.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.45 31.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p 55.2 38.47 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -53.88 116.53 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 24.2 p -54.4 162.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.3 m -146.79 122.32 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -97.62 -28.33 13.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.2 p -130.18 154.4 47.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.6 p -145.63 162.38 37.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -141.83 101.98 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 48.1 t -84.29 141.67 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.96 106.32 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.52 31.57 2.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.06 -170.59 13.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -92.08 162.32 14.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -142.44 124.86 15.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 21.2 t -96.02 124.36 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 m -109.07 127.09 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 3.0 m-85 -110.23 128.68 55.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.18 59.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.56 150.98 17.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.424 ' CG ' ' HD3' ' A' ' 82' ' ' LYS . 39.1 mt-10 -71.2 154.08 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 3.0 m-80 67.38 34.0 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.5 OUTLIER 55.16 44.22 28.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.0 p -108.74 176.79 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.0 -148.34 44.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -76.5 175.59 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 18.9 pt20 -146.98 137.72 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -134.46 111.07 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.79 161.73 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -140.55 123.21 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.44 158.34 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.04 113.72 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.79 -175.18 46.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -108.46 111.74 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.8 m-85 -100.73 102.08 18.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.701 0.762 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -33.33 16.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -138.0 171.88 13.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.67 -45.98 60.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 t -41.27 -53.8 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.8 -36.33 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.502 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 27.1 mtp -76.11 -25.86 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -32.88 6.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.0 m -52.06 146.78 14.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.61 18.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.19 2.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.84 54.13 0.67 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.27 129.8 56.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.0 m -126.96 107.19 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.24 133.34 55.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 64.6 mttt -117.62 -24.87 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -149.26 150.18 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 mt -121.96 161.48 22.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -156.87 109.88 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 88' ' ' SER . 23.0 t80 -69.02 127.13 32.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -87.85 -68.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 86' ' ' PHE . 28.5 t -169.12 166.91 10.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.474 ' HA2' ' CA ' ' A' ' 45' ' ' GLY . . . -92.77 -172.22 40.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.22 8.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 p -104.99 146.99 28.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.4 m -124.52 122.64 38.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 55.14 42.16 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -129.51 170.28 13.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.62 -42.21 55.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -73.98 -52.08 13.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 110.918 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m -67.76 148.3 51.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.61 139.95 15.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' OE1' ' C ' ' A' ' 8' ' ' GLN . 4.2 tm0? -154.62 132.3 11.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.495 HG23 ' CZ3' ' A' ' 47' ' ' TRP . 18.8 tt -114.23 136.97 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.7 t60 -125.91 113.14 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 11' ' ' LEU . 2.6 mm? -96.97 151.01 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.63 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 31.1 m-85 -134.39 118.41 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -50.73 -44.51 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 14.9 mm-40 -97.55 155.45 37.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.58 41.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 63.2 33.46 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 52.43 44.98 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 77.0 mt-30 -114.0 179.07 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -154.27 35.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -65.4 139.11 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.3 p -135.19 148.08 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -137.69 158.11 45.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 p -136.3 139.52 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -127.41 103.72 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.17 -35.03 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -115.44 172.17 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.5 m -56.49 145.3 28.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.3 m -126.56 147.92 49.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 p -111.13 -31.57 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -133.35 139.67 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.7 mm -95.71 146.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -52.0 105.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 2.0 p30 51.99 32.01 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 45.78 37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.99 118.25 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.461 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 18.6 t -55.66 168.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 m -151.18 112.94 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -82.91 -26.27 31.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.9 p -139.46 149.46 44.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.26 173.15 12.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' HIS . 10.6 ttm180 -146.77 107.1 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -97.19 146.46 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -155.01 110.63 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.62 65.69 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.56 161.38 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.543 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.519 ' CB ' HD13 ' A' ' 87' ' ' ILE . 49.2 m -80.44 166.12 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.545 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 28.3 m95 -140.64 138.82 34.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.496 ' CG2' HD12 ' A' ' 87' ' ' ILE . 2.8 t -101.11 128.02 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 m -115.76 117.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.455 ' CZ ' HG11 ' A' ' 48' ' ' VAL . 5.9 m-85 -100.04 158.54 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.9 -11.52 24.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.36 169.28 12.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -81.47 150.25 28.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 60.59 38.58 18.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 54.6 43.45 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.4 p -101.32 159.53 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.79 -131.85 10.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -96.0 176.3 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -149.57 144.17 26.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -137.07 114.64 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 m -77.72 163.94 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -140.82 126.7 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.29 161.82 27.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.21 122.27 15.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.35 -157.42 29.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.416 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -128.01 112.82 15.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CD1' ' CG ' ' A' ' 73' ' ' MET . 94.9 m-85 -98.47 102.01 13.26 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.701 0.762 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.12 30.12 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -143.88 172.88 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.71 -49.34 26.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLY . 38.6 t -39.17 -61.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.31 -36.49 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.469 ' CG ' ' CD1' ' A' ' 67' ' ' TYR . 30.9 mtp -75.37 -26.41 58.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 109.85 -32.66 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.39 144.38 23.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.49 30.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.272 . . . . 0.0 112.312 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 87.09 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.396 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.04 44.63 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.51 125.67 53.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -109.7 139.77 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -96.11 134.98 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -115.56 -30.78 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.5 p -136.56 152.65 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mt -125.96 161.22 28.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -150.82 104.11 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.545 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.1 t80 -63.94 111.18 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.519 HD13 ' CB ' ' A' ' 46' ' ' SER . 3.8 mt -88.22 102.06 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.2 t -66.75 105.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -97.45 -121.23 4.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.33 50.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 p -141.34 170.35 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.4 p -124.5 146.72 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -79.6 -60.75 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -152.32 161.74 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' C ' ' HB3' ' A' ' 91' ' ' SER . . . -137.19 51.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p 51.9 35.99 17.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' GLY . 6.5 t 55.14 44.79 27.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.538 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -34.25 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -162.52 155.75 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.2 tt -129.41 148.63 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -129.24 107.36 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -95.76 152.8 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 70.4 m-85 -134.02 117.73 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.4 p -47.71 -49.02 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -96.33 155.75 37.67 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 162.94 40.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 65.49 32.32 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 54.07 44.85 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 78.1 mm-40 -118.5 178.07 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.96 -161.13 29.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -52.24 154.63 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.9 p -147.16 137.43 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -136.98 137.87 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 p -120.95 142.36 49.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -129.18 136.87 50.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -105.68 -32.07 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -105.52 163.09 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.9 m -60.32 103.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -86.26 151.05 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 3.9 t -117.96 -26.08 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -133.86 133.97 42.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.514 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 41.6 mm -90.1 144.89 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' N ' HG22 ' A' ' 31' ' ' ILE . 7.1 m-20 -50.86 102.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 22.7 t70 57.26 32.06 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.96 37.63 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -56.24 117.67 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 47.0 p -52.4 160.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.1 m -145.03 116.38 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -90.24 -34.53 15.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 p -127.55 158.14 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' ' HE2' ' A' ' 73' ' ' MET . 21.0 p -146.9 165.54 29.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -139.88 108.7 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -90.11 128.19 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -140.41 102.81 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 74.89 1.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.42 159.72 35.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.461 ' CB ' HD11 ' A' ' 87' ' ' ILE . 70.6 m -77.79 164.32 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.467 ' CB ' HD12 ' A' ' 9' ' ' ILE . 28.0 m95 -139.35 136.33 34.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.527 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 54.8 t -104.38 133.36 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 84' ' ' LEU . 5.2 m -119.7 119.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.527 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 2.7 m-85 -103.05 130.93 50.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -17.48 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.9 160.87 15.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.455 ' HG2' ' CD ' ' A' ' 82' ' ' LYS . 13.3 mm-40 -78.76 156.61 28.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 11.7 m-80 62.59 32.32 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.7 OUTLIER 56.62 45.76 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.9 p -108.8 170.33 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.9 -137.0 20.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -88.84 169.63 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 23.0 pt20 -142.97 134.86 26.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.72 110.37 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 48' ' ' VAL . 5.8 m -74.72 163.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -141.04 123.34 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -78.96 155.57 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 1.3 tm-20 -58.47 129.53 42.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.89 -158.03 28.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -121.57 122.72 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -116.2 102.07 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -35.76 12.1 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.57 170.1 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' MET . 36.0 mt -66.7 -45.62 78.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.3 t -38.6 -53.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.3 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 27.9 mtp -74.14 -27.93 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.59 -32.26 7.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 98.0 m -53.91 145.79 31.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.55 41.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 84.07 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.47 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.29 121.84 46.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.7 m -111.05 107.0 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.23 138.03 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.455 ' CD ' ' HG2' ' A' ' 53' ' ' GLU . 61.6 mttt -118.0 -30.31 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.9 p -134.87 149.24 50.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.456 ' CD2' HG11 ' A' ' 49' ' ' VAL . 2.0 mt -124.12 160.8 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -149.49 110.19 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.538 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 5.1 t80 -68.52 112.38 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.463 ' CD1' HG23 ' A' ' 48' ' ' VAL . 3.9 mt -93.59 105.49 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 m -64.21 102.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.74 -133.45 3.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -18.21 36.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.421 ' HB3' ' C ' ' A' ' 4' ' ' GLY . 66.6 m -52.0 112.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.9 p -151.15 118.15 5.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -68.03 153.38 43.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -79.42 127.96 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.78 68.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 p -95.52 -44.46 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.594 ' O ' ' CZ ' ' A' ' 86' ' ' PHE . 58.7 p -81.46 -22.66 37.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.568 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 73.95 140.53 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -157.91 134.95 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.1 tt -111.83 140.08 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -128.09 105.71 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -90.86 155.09 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.27 117.21 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -43.84 -51.98 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 25.0 mt-10 -92.04 156.67 42.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 165.64 30.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.626 2.218 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 63.52 32.43 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 53.9 44.7 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 79.4 mt-30 -120.49 178.37 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.32 -158.28 46.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -57.59 149.36 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -135.02 146.43 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -146.39 129.96 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p -112.43 150.33 31.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.445 ' O ' ' CH2' ' A' ' 47' ' ' TRP . 88.9 m-85 -136.99 110.51 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.46 15.96 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -149.54 154.86 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.7 m -57.65 103.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 29' ' ' SER . 52.0 m -96.54 153.25 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.415 ' N ' HG21 ' A' ' 28' ' ' THR . 2.8 m -117.95 -22.96 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -134.41 141.63 46.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 34.6 mm -97.81 146.47 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' N ' HG22 ' A' ' 31' ' ' ILE . 26.9 m-20 -51.96 102.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 55.63 32.04 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 45.4 36.14 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.36 120.38 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.5 p -52.02 154.42 2.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.455 HG21 ' CD1' ' A' ' 11' ' ' LEU . 84.9 m -141.33 114.75 8.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.86 -33.19 13.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -124.97 166.76 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.5 p -151.52 171.7 17.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -143.59 117.43 9.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -106.49 139.78 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 t -157.72 103.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.483 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 94.26 65.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.32 170.59 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -89.61 165.15 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.1 m95 -143.04 116.67 9.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG12 ' CZ ' ' A' ' 50' ' ' TYR . 21.4 t -87.97 135.02 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 81' ' ' PHE . 5.6 m -120.74 120.38 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.518 ' CZ ' HG12 ' A' ' 48' ' ' VAL . 1.2 m-85 -105.47 118.48 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -10.98 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.99 162.38 18.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' CG ' ' HD3' ' A' ' 82' ' ' LYS . 55.3 mt-10 -82.6 147.88 28.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 61.71 39.63 14.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 58.7 47.88 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 53' ' ' GLU . 69.5 p -113.97 161.27 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.72 -150.61 26.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -75.41 165.48 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 10.6 pt20 -139.88 127.79 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.47 113.89 18.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 m -75.14 151.13 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -128.17 122.65 32.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.29 166.41 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.26 125.3 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.48 133.58 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.79 110.29 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 73.3 m-85 -94.27 105.77 19.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.669 0.747 . . . . 0.0 110.972 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.96 5.91 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 57.1 m -141.3 176.52 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 75' ' ' CYS . 37.0 mt -67.97 -43.68 78.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.7 t -41.85 -57.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.2 66.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.469 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 29.7 mtp -74.18 -30.07 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.26 18.79 15.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.448 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . 71.0 m -101.94 152.5 38.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.508 ' C ' ' H ' ' A' ' 78' ' ' GLY . 54.1 Cg_endo -69.76 161.87 44.27 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 18.11 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 76' ' ' PRO . . . -156.33 55.59 0.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.75 134.83 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 102.04 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.561 ' CE1' HG21 ' A' ' 49' ' ' VAL . 2.8 m-85 -59.04 134.24 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 82.7 mttt -117.99 -24.51 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.6 p -139.38 154.7 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 49' ' ' VAL . 6.1 mt -128.09 161.68 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -150.62 106.2 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 6' ' ' SER . 15.8 t80 -73.55 107.71 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.7 mt -77.25 -41.53 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.513 ' O ' ' C ' ' A' ' 89' ' ' GLY . 5.7 t 66.43 47.96 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 88' ' ' SER . . . -29.07 -84.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.1 37.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.67 2.246 . . . . 0.0 112.311 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.5 p -155.53 170.17 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.5 m -127.02 125.77 41.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.499 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -156.17 125.33 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -71.36 -54.25 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.97 -153.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.9 p -69.96 124.21 23.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.789 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -82.17 102.08 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.95 171.21 3.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -144.46 138.16 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.336 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -128.81 149.75 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.493 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 t60 -130.93 116.08 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.0 mm? -102.34 151.4 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 46.3 m-85 -133.39 112.94 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 t -40.16 -45.24 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 11.4 mt-10 -100.39 158.9 31.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 54.0 Cg_endo -69.78 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 56.57 36.22 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.46 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 51.99 43.45 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 50.7 mt-30 -111.98 178.14 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.93 -155.4 26.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -60.82 156.06 18.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.4 p -147.02 144.49 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -141.99 125.23 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 p -106.34 143.53 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -125.7 121.67 34.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -87.54 -35.79 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -113.24 172.63 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -60.88 124.67 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.2 m -102.81 144.29 31.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.8 p -110.7 -26.35 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -139.42 132.63 29.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 32' ' ' ASP . 23.7 mm -89.94 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' HG23 ' A' ' 31' ' ' ILE . 7.9 m-20 -52.03 103.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 55.14 31.98 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 45.0 36.58 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -54.45 117.74 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.462 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 23.3 p -52.07 164.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -151.53 116.95 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 10.3 mttm -91.39 -31.54 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -127.25 155.39 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 p -146.96 164.92 31.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -135.36 102.56 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 62.0 t -86.54 130.23 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 t -156.15 108.97 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.26 -17.98 9.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.491 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 163.14 -170.94 38.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.496 ' HB2' ' CG1' ' A' ' 87' ' ' ILE . 36.5 m -87.73 158.1 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -144.18 120.14 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.552 ' CG2' ' CD1' ' A' ' 87' ' ' ILE . 2.5 t -88.28 112.79 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.531 ' HB ' ' CD1' ' A' ' 81' ' ' PHE . 3.7 m -96.92 110.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.506 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 2.4 m-85 -98.85 134.16 42.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.96 -17.18 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.96 164.16 12.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -78.64 153.36 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 65.43 37.3 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 52.45 42.87 31.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -99.7 174.98 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.12 -146.78 49.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -71.36 166.17 22.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.436 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 14.9 pt20 -143.14 129.97 20.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -136.42 116.35 13.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 48' ' ' VAL . 5.3 m -87.8 145.19 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 46' ' ' SER . 13.5 mt -120.42 122.52 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' C ' HG11 ' A' ' 42' ' ' VAL . 37.4 mt-10 -82.59 168.15 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.96 114.73 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.78 141.05 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.07 118.57 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 98.5 m-85 -108.31 101.97 44.62 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.703 0.763 . . . . 0.0 110.908 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -29.74 23.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.0 p -133.56 176.97 8.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.85 -47.67 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -41.66 -59.5 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.0 -34.84 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.421 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 33.7 mtp -75.48 -27.02 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.87 20.02 22.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.37 154.85 37.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.82 48.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.21 41.05 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.59 108.93 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.4 m -97.7 104.16 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 3.6 m-85 -62.64 136.83 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -117.83 -24.94 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 p -145.27 151.34 38.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mt -124.87 159.55 30.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -150.14 120.23 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -80.45 129.59 34.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.552 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 1.4 mm -93.95 -70.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -169.03 161.34 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.61 166.95 45.93 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.49 24.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.739 2.292 . . . . 0.0 112.302 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 p -93.65 -39.77 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.4 t -48.7 -44.2 37.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.441 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -126.55 173.84 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 p -132.28 108.21 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.34 -101.95 0.36 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m 57.28 45.1 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -82.92 16.7 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.74 150.7 0.23 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -153.43 151.6 30.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.538 HG22 ' CZ3' ' A' ' 47' ' ' TRP . 19.9 tt -146.43 130.75 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.444 ' CD2' ' CE1' ' A' ' 12' ' ' PHE . 3.5 t60 -122.73 105.2 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.5 ' N ' HD21 ' A' ' 11' ' ' LEU . 3.2 mm? -86.59 158.09 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 10' ' ' HIS . 58.2 m-85 -134.29 127.01 30.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -57.09 -45.58 83.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 32.1 mt-10 -100.46 157.99 32.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.419 ' HD3' ' HD2' ' A' ' 38' ' ' LYS . 53.4 Cg_endo -69.82 161.9 44.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 64.25 31.99 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 55.14 46.31 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 41.5 mm-40 -117.04 177.62 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.26 -162.51 28.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -59.59 156.05 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.452 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 2.8 m -136.77 159.42 41.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 7.3 mp0 -149.75 119.44 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.416 ' HB2' ' ND1' ' A' ' 10' ' ' HIS . 38.7 t -103.68 151.32 23.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 88.7 m-85 -142.09 104.71 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.86 7.24 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -149.04 173.13 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.5 m -71.79 112.32 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.458 ' CG2' ' CD1' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -98.7 158.37 15.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -118.03 -19.51 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -140.51 144.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 32' ' ' ASP . 41.3 mm -100.77 145.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.514 ' N ' HG22 ' A' ' 31' ' ' ILE . 7.4 m-20 -51.99 102.35 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 57.09 32.78 22.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 44.67 32.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 22' ' ' GLN . 1.2 p90 -52.06 119.66 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 8.4 t -52.02 161.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.3 m -143.47 116.84 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD2' ' HD3' ' A' ' 15' ' ' PRO . 31.7 mttt -95.87 -35.74 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -128.07 155.89 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -145.42 168.24 20.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -136.68 105.03 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 47.4 t -89.96 136.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -157.77 105.91 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 37.92 2.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.489 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 117.49 -173.62 14.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.2 m -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.538 ' CZ3' HG22 ' A' ' 9' ' ' ILE . 36.5 m95 -139.9 134.61 31.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 HG22 ' CG1' ' A' ' 87' ' ' ILE . 40.4 t -106.41 128.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.469 HG22 ' CE1' ' A' ' 81' ' ' PHE . 6.3 m -114.51 124.4 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.485 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 25.2 m-85 -105.3 136.02 45.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.19 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.86 164.07 13.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.99 149.38 28.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 3.9 m-80 61.69 40.46 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 59.34 46.84 12.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.3 p -114.52 159.91 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.69 -151.95 25.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.422 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -73.35 175.85 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 21.3 pt20 -146.6 139.74 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -135.3 106.39 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' CG1' HG21 ' A' ' 48' ' ' VAL . 4.7 m -73.12 161.67 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 mt -143.03 124.82 15.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -81.6 167.94 18.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.52 116.94 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.94 165.62 23.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -93.5 110.4 21.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.9 m-85 -97.43 104.35 19.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.677 0.751 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -34.85 13.64 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.655 2.236 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -135.54 170.93 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' MET . 20.2 mt -70.35 -46.52 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -38.39 -57.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.1 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 24.8 mtp -81.98 14.37 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.83 18.96 34.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 98.3 m -103.96 150.66 38.49 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 3.72 2.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.91 61.01 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.32 118.99 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.01 104.06 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.469 ' CE1' HG22 ' A' ' 49' ' ' VAL . 2.2 m-85 -63.62 137.51 58.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -117.56 -26.36 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.6 p -142.8 162.17 36.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.473 ' CD1' ' CG ' ' A' ' 24' ' ' PHE . 2.5 mt -130.06 160.57 33.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -157.12 108.23 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -70.01 103.65 2.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.47 ' CG1' HG22 ' A' ' 48' ' ' VAL . 2.2 mt -61.32 -69.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.8 p -169.09 170.91 8.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.489 ' HA2' ' CA ' ' A' ' 45' ' ' GLY . . . -119.62 -178.57 16.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.491 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.81 4.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.1 m -110.02 113.34 25.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.0 p -76.17 -42.67 45.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -71.97 127.06 31.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -42.74 -66.03 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.27 92.43 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p 53.28 39.38 29.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t 56.88 42.55 26.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . 66.65 149.23 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -157.87 147.42 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 18.1 tt -126.51 147.79 31.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.1 t60 -131.84 107.77 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -92.25 149.7 21.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 32.1 m-85 -134.42 114.06 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.4 t -43.33 -44.4 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 71.9 mm-40 -100.45 154.61 37.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 164.41 34.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.95 31.97 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 54.21 46.17 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.42 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 68.0 mt-30 -117.73 178.04 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.66 -160.11 15.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -56.11 151.41 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.6 p -145.04 136.19 24.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -136.61 119.91 16.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.7 p -106.54 144.95 32.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 84' ' ' LEU . 24.9 m-85 -128.41 140.3 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.45 -32.7 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.99 154.0 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.3 m -52.22 107.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' LEU . 19.7 m -92.99 151.74 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.7 t -117.95 -25.95 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -129.94 127.42 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 32' ' ' ASP . 49.8 mm -86.27 144.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.496 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -50.6 102.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 55.6 32.05 18.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 44.94 36.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.8 p90 -57.44 117.02 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.5 p -53.7 157.65 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.0 m -143.25 124.64 14.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -98.91 -26.07 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.3 p -135.44 153.89 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.3 p -144.34 171.78 13.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -138.99 108.17 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -96.03 136.72 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -151.55 109.35 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.463 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 88.69 66.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.61 159.56 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.468 ' C ' HD11 ' A' ' 87' ' ' ILE . 27.7 m -78.77 166.77 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.53 ' CD2' ' HB ' ' A' ' 9' ' ' ILE . 34.8 m95 -139.98 130.33 25.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.531 HG13 ' CZ ' ' A' ' 50' ' ' TYR . 96.9 t -103.42 129.65 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.456 HG12 ' CD2' ' A' ' 84' ' ' LEU . 3.2 m -120.76 120.07 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 4.3 m-85 -99.41 151.45 21.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.15 -16.95 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.72 168.29 13.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -80.7 154.98 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 64.1 m-80 63.61 35.66 11.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 53.81 48.0 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 165.4 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 -152.77 42.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.37 175.68 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.405 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 5.2 pt20 -155.9 132.3 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.508 ' CG ' ' SG ' ' A' ' 75' ' ' CYS . 92.3 m-85 -118.04 111.67 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -89.89 122.33 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.123 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -104.38 123.11 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -79.01 165.23 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.7 110.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.03 128.26 0.94 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -56.22 114.93 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 69.2 m-85 -99.41 101.97 14.83 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.692 0.758 . . . . 0.0 110.933 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -31.86 19.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.55 158.99 43.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD2' ' HB2' ' A' ' 75' ' ' CYS . 41.6 mt -60.56 -42.95 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 66.5 m -37.72 -59.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.06 -37.36 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' LEU . 34.1 mtp -74.14 -29.97 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.79 22.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.508 ' SG ' ' CG ' ' A' ' 60' ' ' TYR . 82.0 m -100.35 150.37 36.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 158.53 56.69 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.35 49.07 0.2 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.19 132.76 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.8 m -119.16 103.75 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.11 140.22 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.414 ' C ' HG12 ' A' ' 31' ' ' ILE . 36.5 mttt -116.63 -29.47 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 p -136.17 145.02 45.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 24' ' ' PHE . 3.5 mt -117.56 158.41 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -151.73 108.28 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.456 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.2 t80 -79.72 102.16 8.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.468 HD11 ' C ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -85.12 102.12 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.6 t -52.4 102.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.06 135.86 6.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.74 3.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 t -70.13 115.35 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.6 m -70.28 -52.83 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -91.46 137.48 32.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.835 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 t -60.3 163.24 5.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.19 -179.09 15.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -79.5 -45.66 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.5 m -58.79 120.51 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -48.72 148.77 4.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -157.89 145.4 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.527 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 14.8 tt -124.3 153.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -136.09 106.81 6.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' N ' HD21 ' A' ' 11' ' ' LEU . 3.2 mm? -91.05 154.17 19.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -134.14 118.68 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.0 t -49.79 -43.52 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 38.1 mt-10 -102.93 155.85 36.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.72 163.01 39.82 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 63.65 32.93 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 53.25 45.56 28.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 57.1 mm-40 -116.17 178.58 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 -156.38 23.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -64.03 154.63 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.9 137.42 23.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -130.41 122.66 28.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -105.3 139.91 39.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 51.1 m-85 -126.58 139.35 53.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.86 -33.38 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -103.36 166.12 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.4 m -65.06 107.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.2 m -94.41 149.97 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -117.97 -18.09 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -136.12 141.83 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.406 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 29.7 mm -107.32 145.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' N ' HG21 ' A' ' 31' ' ' ILE . 24.7 m-20 -52.02 102.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 55.09 32.0 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.89 36.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.27 116.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -53.95 160.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 39' ' ' SER . 23.6 m -143.9 116.62 8.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.439 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 13.3 mtpt -87.77 -29.86 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG2' ' A' ' 37' ' ' THR . 13.2 p -132.87 158.24 43.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -145.8 172.17 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -140.51 119.28 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 59.9 t -105.35 133.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.5 t -148.02 107.53 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.446 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 87.2 66.47 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 104.42 164.02 24.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.8 m -83.14 162.18 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.527 ' CD2' ' HB ' ' A' ' 9' ' ' ILE . 48.8 m95 -135.01 129.2 33.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.48 ' CG2' HD11 ' A' ' 87' ' ' ILE . 45.1 t -104.86 129.27 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' A' ' 81' ' ' PHE . 3.2 m -119.53 113.01 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 18.2 m-85 -93.25 142.05 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.05 -12.74 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.65 168.98 13.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.443 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -85.03 152.69 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.821 0.344 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 17.3 m-80 63.57 35.19 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 56.92 47.85 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -114.49 143.53 44.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -161.54 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -54.14 175.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.462 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 9.1 pt20 -152.24 130.76 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.465 ' CG ' ' SG ' ' A' ' 75' ' ' CYS . 82.0 m-85 -122.08 107.64 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -88.94 120.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -100.79 123.54 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -74.7 164.06 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.38 116.35 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.69 -146.69 9.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -134.55 106.4 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 83.4 m-85 -98.79 102.04 13.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.699 0.761 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.23 24.03 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.4 m -140.23 175.88 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.4 mt -74.23 -44.14 54.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' GLY . 12.3 t -40.07 -64.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.24 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.505 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 27.5 mtp -73.93 -25.31 59.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.5 -30.45 7.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 60' ' ' TYR . 87.6 m -55.06 149.01 26.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.4 24.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 89.03 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.75 43.93 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.39 158.93 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -139.68 131.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.0 m-85 -93.5 139.46 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -116.47 -25.23 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.8 p -143.39 151.31 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' CD2' HG12 ' A' ' 49' ' ' VAL . 1.3 mt -124.05 151.52 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -137.36 109.55 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.606 ' CZ ' ' CB ' ' A' ' 88' ' ' SER . 10.0 t80 -76.29 103.17 6.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.48 HD11 ' CG2' ' A' ' 48' ' ' VAL . 7.7 mt -74.89 -33.81 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.606 ' CB ' ' CZ ' ' A' ' 86' ' ' PHE . 14.2 p 58.09 36.33 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.32 106.62 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 2.72 3.26 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.78 2.32 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 t -114.37 144.88 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -92.83 -44.69 8.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.521 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.3 tt -127.31 143.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.596 ' ND1' ' CZ ' ' A' ' 12' ' ' PHE . 12.8 t-80 -122.56 109.38 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.037 HD12 HG21 ' A' ' 37' ' ' THR . 2.5 mm? -96.92 147.53 23.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.596 ' CZ ' ' ND1' ' A' ' 10' ' ' HIS . 57.6 m-85 -134.09 116.86 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 t -46.28 -48.34 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 34.2 mm-40 -95.65 158.16 34.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 163.83 36.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 62.7 33.27 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.48 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 m-85 53.53 45.2 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.427 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 60.7 mt-30 -117.89 178.38 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.57 -143.6 45.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -68.4 154.06 42.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.758 0.313 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -141.79 145.48 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.426 ' CD ' ' CE2' ' A' ' 35' ' ' PHE . 33.1 mt-30 -149.56 122.67 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -107.71 141.3 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -128.29 117.98 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.14 -30.53 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -113.12 169.78 8.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.478 HG23 ' HA ' ' A' ' 85' ' ' ARG . 60.1 m -61.78 119.77 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.449 ' HB ' HD12 ' A' ' 84' ' ' LEU . 51.9 m -99.55 152.41 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -116.84 -32.09 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -134.27 135.24 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.5 mm -89.58 146.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.03 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.99 32.04 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 p 46.89 38.24 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.29 118.05 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 p -53.1 162.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.037 HG21 HD12 ' A' ' 11' ' ' LEU . 51.5 m -145.44 115.01 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -89.33 -38.23 14.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -125.52 154.02 42.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -143.6 168.89 18.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -140.29 108.62 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.6 t -89.41 142.28 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -154.56 106.83 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.93 82.3 0.92 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.12 161.48 37.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.4 m -83.58 165.39 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CB ' HD12 ' A' ' 9' ' ' ILE . 43.8 m95 -138.38 130.13 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.063 HG22 HG12 ' A' ' 61' ' ' VAL . 80.1 t -102.44 131.09 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.431 HG12 ' CD2' ' A' ' 84' ' ' LEU . 3.0 m -116.47 118.72 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 2.1 m-85 -103.52 130.22 50.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.04 -16.4 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.98 163.83 12.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' HG3' ' CD ' ' A' ' 82' ' ' LYS . 37.1 mt-10 -79.94 157.15 26.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m120 62.29 35.68 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.27 43.11 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -107.87 164.45 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 -145.21 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -83.03 152.15 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.41 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 8.9 pt20 -126.44 134.94 50.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.426 ' O ' HG22 ' A' ' 49' ' ' VAL . 5.6 m-85 -130.26 107.24 9.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.063 HG12 HG22 ' A' ' 48' ' ' VAL . 9.4 m -74.22 166.72 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -142.87 123.64 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.99 173.09 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.81 118.22 16.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.65 -164.86 38.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -119.17 114.78 22.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 98.0 m-85 -102.53 102.02 23.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.8 Cg_endo -69.77 -30.74 21.75 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.6 p -136.04 176.5 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.703 HD22 ' HB2' ' A' ' 75' ' ' CYS . 14.1 mt -77.06 -50.37 13.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.1 t -36.58 -55.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.28 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' LEU . 25.2 mtp -75.79 -30.03 58.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -32.93 5.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.703 ' HB2' HD22 ' A' ' 70' ' ' LEU . 11.2 m -52.21 143.84 24.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.03 43.64 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.728 2.285 . . . . 0.0 112.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 89.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.34 44.9 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.6 143.8 32.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.077 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.5 m -128.72 113.1 14.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.87 134.8 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.443 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 73.8 mttt -113.3 -31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 p -132.02 157.05 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.449 HD12 ' HB ' ' A' ' 28' ' ' THR . 5.9 mt -134.8 152.84 52.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.478 ' HA ' HG23 ' A' ' 27' ' ' THR . 55.3 ttt180 -140.51 104.67 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.47 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 3.1 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.545 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.1 tt -101.71 144.92 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.51 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t60 -127.54 110.39 12.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 37' ' ' THR . 2.8 mm? -96.93 151.48 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.51 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 79.0 m-85 -134.15 112.97 11.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.0 t -43.24 -50.41 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 10.8 mt-10 -94.8 158.45 35.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 164.7 33.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 60.99 32.67 19.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.47 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 54.65 45.88 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.425 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 31.3 mt-30 -117.47 178.21 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.04 -154.24 44.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -59.42 148.72 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 p -138.06 141.8 40.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 81.0 mt-30 -144.67 126.87 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p -111.27 147.9 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -130.18 133.64 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -103.5 -33.56 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.08 165.34 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 85' ' ' ARG . 93.2 m -55.84 112.49 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.597 ' HB ' HD12 ' A' ' 84' ' ' LEU . 52.2 m -89.62 149.72 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.3 p -117.93 -30.34 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -137.58 131.25 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.1 mm -86.18 145.33 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -52.02 102.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 56.03 32.0 19.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 p 45.42 38.08 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -56.01 118.1 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 p -52.48 162.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.02 HG21 HD12 ' A' ' 11' ' ' LEU . 29.0 m -147.47 116.5 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -90.38 -29.87 17.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -133.48 153.86 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.45 172.65 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -143.99 113.11 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.77 135.31 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -149.86 106.15 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.97 84.83 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.59 162.27 37.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.0 m -82.37 163.82 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.578 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.8 m95 -139.33 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.604 HG22 HG12 ' A' ' 61' ' ' VAL . 12.9 t -100.46 130.06 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 60' ' ' TYR . 4.7 m -115.17 121.34 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 24.6 m-85 -103.04 142.12 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.54 -12.53 59.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.07 166.92 12.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.94 150.99 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.2 m120 66.47 39.15 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 55.06 42.39 30.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -106.9 169.09 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.34 -163.76 50.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -70.33 143.39 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -116.23 142.05 47.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.466 ' O ' HG22 ' A' ' 49' ' ' VAL . 3.4 m-85 -134.95 104.46 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.604 HG12 HG22 ' A' ' 48' ' ' VAL . 3.9 m -69.15 161.5 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -142.54 122.91 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -81.66 164.27 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.05 124.94 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.54 -171.45 40.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.39 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.475 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 97.5 m-85 -100.05 102.0 16.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.682 0.753 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.3 Cg_endo -69.82 -29.7 23.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.29 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.18 170.53 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' MET . 51.4 mt -67.13 -48.19 68.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.2 t -38.04 -60.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -37.49 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 25.3 mtp -75.28 -27.5 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.15 -33.97 5.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 56.4 m -55.46 151.65 19.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.09 54.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 84.81 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.07 42.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.68 162.08 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.1 m -141.02 124.24 16.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -87.9 135.57 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -110.92 -32.82 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.421 ' O ' HD23 ' A' ' 84' ' ' LEU . 85.0 p -135.8 168.03 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.597 HD12 ' HB ' ' A' ' 28' ' ' THR . 3.9 mt -142.32 157.96 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 27' ' ' THR . 16.6 ttt85 -145.27 104.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 3.3 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.706 0.288 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.511 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.4 tt -111.58 137.17 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -121.96 107.76 12.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.992 HD12 HG21 ' A' ' 37' ' ' THR . 3.3 mm? -94.97 151.43 19.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 17' ' ' PHE . 33.1 m-85 -134.5 118.11 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.8 p -49.57 -35.09 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 59.1 mm-40 -109.58 157.77 36.53 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.634 0.731 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 62.35 34.45 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.7 m-85 52.1 44.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 73.0 mt-30 -113.64 178.19 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -156.99 30.52 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -61.99 144.23 55.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.814 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.0 p -136.49 143.75 43.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -141.19 135.19 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -117.75 149.16 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 70.5 m-85 -133.26 138.74 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -109.03 -28.12 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -109.86 163.25 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 m -59.1 102.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -87.81 146.61 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.2 t -117.9 -23.63 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -131.86 137.96 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 20.1 mm -100.46 146.25 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.0 102.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.6 t0 56.5 32.05 20.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 p 46.09 38.02 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -57.92 116.88 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' HG23 ' A' ' 80' ' ' THR . 73.8 m -57.24 162.47 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.992 HG21 HD12 ' A' ' 11' ' ' LEU . 17.6 m -142.07 117.96 10.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -88.3 -27.5 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 p -138.26 153.94 49.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.596 ' CB ' HD13 ' A' ' 11' ' ' LEU . 13.3 p -144.95 167.89 21.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -139.5 111.43 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' A' ' 62' ' ' LEU . 85.9 t -99.31 140.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.5 114.16 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.73 58.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 106.65 159.34 21.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.6 m -79.77 165.22 23.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.511 ' CB ' HD12 ' A' ' 9' ' ' ILE . 30.2 m95 -141.65 134.16 28.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.023 HG22 HG12 ' A' ' 61' ' ' VAL . 97.0 t -104.08 137.18 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.601 HG12 HD23 ' A' ' 84' ' ' LEU . 4.5 m -122.6 120.57 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -100.18 135.94 40.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -69.98 -15.68 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.66 168.98 14.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' THR . 18.4 mm-40 -85.25 153.82 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.459 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 28.8 m-80 64.93 34.15 9.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER 55.54 45.95 23.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' GLU . 66.1 p -105.41 176.74 5.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.33 -143.12 38.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -85.3 163.25 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -131.59 137.2 48.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -130.93 117.66 19.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.023 HG12 HG22 ' A' ' 48' ' ' VAL . 10.7 m -82.77 166.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 42' ' ' VAL . 8.0 mt -141.85 124.62 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -72.76 162.92 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.73 120.71 15.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.6 -174.86 36.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 121.46 42.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 95.7 m-85 -109.71 102.03 48.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.75 -28.72 24.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 p -138.02 175.44 9.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.61 -47.89 29.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -39.28 -57.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.81 -37.86 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 mtp -74.76 -29.68 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.61 -34.39 5.16 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 64.8 m -52.1 149.41 9.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.8 33.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 86.51 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.51 41.39 0.36 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.74 123.96 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 36' ' ' SER . 51.9 m -108.46 118.57 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -80.94 137.76 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -117.9 -27.44 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -141.96 145.18 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 49' ' ' VAL . 2.3 mt -119.13 161.03 21.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -148.09 109.19 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.485 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.8 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.666 HD12 ' CB ' ' A' ' 47' ' ' TRP . 13.4 tt -116.43 141.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.585 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -126.64 109.22 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.777 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -97.27 152.46 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 38.4 m-85 -134.74 116.38 14.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 t -45.7 -49.54 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.62 157.17 35.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.07 28.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 62.52 31.94 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 52.13 43.44 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -117.01 178.36 4.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.39 48.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -59.55 153.26 20.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.2 p -139.15 139.58 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -142.18 119.95 11.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -108.77 143.52 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -128.66 107.86 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.65 -33.91 64.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -115.17 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.597 HG23 ' HA ' ' A' ' 85' ' ' ARG . 31.3 m -57.01 143.74 36.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.62 ' HB ' HD12 ' A' ' 84' ' ' LEU . 55.3 m -121.77 148.58 44.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.6 p -114.97 -31.15 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -138.74 120.15 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 48.9 mm -71.77 144.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.96 102.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t0 56.68 31.99 20.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 p 46.15 34.94 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.5 p90 -55.25 116.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.8 t -53.28 163.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.777 HG21 HD12 ' A' ' 11' ' ' LEU . 70.2 m -150.24 126.42 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -98.57 -29.58 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -130.77 155.39 46.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' A' ' 62' ' ' LEU . 17.8 p -147.05 169.7 18.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -141.09 114.96 9.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.5 t -101.53 138.56 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -156.79 111.09 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.75 56.92 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.2 161.08 21.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.7 m -80.76 165.43 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.666 ' CB ' HD12 ' A' ' 9' ' ' ILE . 37.0 m95 -139.85 129.79 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' CG1' ' CZ ' ' A' ' 50' ' ' TYR . 3.5 t -95.02 123.9 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 60' ' ' TYR . 2.8 m -112.39 113.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 4.2 m-85 -101.74 143.7 31.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -86.78 17.21 4.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.72 151.04 22.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 56' ' ' THR . 29.9 mt-10 -65.84 150.52 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 m120 62.45 35.19 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 53.41 41.67 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 53' ' ' GLU . 73.2 p -97.79 172.44 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.19 -128.07 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -100.52 166.11 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 pt20 -137.18 140.53 41.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.559 ' O ' HG22 ' A' ' 49' ' ' VAL . 21.4 m-85 -137.22 119.5 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.61 151.65 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.781 HD13 ' SG ' ' A' ' 40' ' ' CYS . 23.8 mt -127.77 122.77 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.44 175.88 8.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.64 118.83 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.38 155.34 7.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.433 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -81.96 105.67 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -93.12 106.47 19.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.729 0.776 . . . . 0.0 110.944 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -32.82 17.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -137.9 172.75 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 73' ' ' MET . 46.5 mt -70.23 -45.24 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -37.8 -53.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.08 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' LEU . 28.8 mtp -75.29 -29.61 60.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.82 -34.4 5.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 23.1 m -52.64 154.21 4.92 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.77 20.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 111.67 2.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.29 43.01 5.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.55 139.03 30.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -118.96 108.38 14.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.76 140.37 47.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.435 ' C ' HG12 ' A' ' 31' ' ' ILE . 26.0 mttt -117.48 -34.94 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -133.85 148.8 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.62 HD12 ' HB ' ' A' ' 28' ' ' THR . 6.3 mt -124.51 155.47 38.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.597 ' HA ' HG23 ' A' ' 27' ' ' THR . 40.0 ttt180 -142.32 106.06 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.762 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.1 tt -119.36 144.87 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.794 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 6.7 t60 -136.34 118.64 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.736 HD23 ' HE1' ' A' ' 24' ' ' PHE . 2.5 mm? -103.2 153.04 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.794 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 98.9 m-85 -131.95 112.58 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -42.28 -49.7 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 15.8 mt-10 -96.73 156.84 36.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 163.3 38.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 64.79 32.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.435 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 4.1 m-85 54.54 46.61 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 92.0 mm-40 -121.67 177.64 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.34 -161.05 48.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -52.89 155.63 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -136.58 140.0 42.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -146.91 120.07 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.1 p -110.26 151.52 27.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.736 ' HE1' HD23 ' A' ' 11' ' ' LEU . 34.0 m-85 -130.67 138.08 49.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -104.6 -32.22 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -118.42 169.16 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 85' ' ' ARG . 23.6 m -56.57 112.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.518 ' HB ' HD12 ' A' ' 84' ' ' LEU . 60.7 m -93.26 149.24 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 p -117.75 -25.99 6.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 143.4 50.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 32' ' ' ASP . 43.4 mm -107.4 154.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' ILE . 1.9 t0 -52.05 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.75 31.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.0 p 56.59 35.89 26.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -54.78 116.22 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -56.54 153.37 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 11' ' ' LEU . 50.6 m -134.99 127.61 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -126.89 153.87 45.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.712 ' SG ' HD13 ' A' ' 62' ' ' LEU . 20.1 p -144.2 171.95 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -142.44 110.42 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 98.7 t -100.21 135.88 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -157.92 109.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 35.96 4.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.485 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 124.35 163.8 11.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -80.93 164.99 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.762 ' CB ' HD12 ' A' ' 9' ' ' ILE . 34.0 m95 -142.5 130.34 21.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.002 HG22 HG12 ' A' ' 61' ' ' VAL . 25.9 t -101.97 128.8 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.732 HG12 HD23 ' A' ' 84' ' ' LEU . 13.2 m -115.24 118.41 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.419 ' HD1' ' HG ' ' A' ' 83' ' ' SER . 1.5 m-85 -100.8 138.2 38.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -14.25 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.3 163.02 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 56' ' ' THR . 8.0 mm-40 -76.56 151.31 36.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 m120 65.1 38.38 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 53.31 42.37 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' GLU . 82.6 p -102.25 174.92 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.93 -150.74 48.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -79.43 148.63 31.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 5.0 pp0? -121.17 142.24 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.81 115.2 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.002 HG12 HG22 ' A' ' 48' ' ' VAL . 16.7 m -82.29 163.95 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.712 HD13 ' SG ' ' A' ' 40' ' ' CYS . 25.2 mt -139.05 123.97 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.66 168.55 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.44 116.68 6.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.14 158.75 9.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 2.3 p-80 -85.81 111.73 20.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 97.4 m-85 -97.94 102.06 12.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 66' ' ' HIS . 54.0 Cg_endo -69.71 -31.57 20.48 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.41 174.0 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.448 HD22 ' HB2' ' A' ' 75' ' ' CYS . 19.2 mt -74.01 -49.08 26.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 74' ' ' GLY . 6.4 t -38.16 -61.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.2 -37.33 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' LEU . 30.4 mtp -75.02 -29.7 60.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 99.53 18.71 22.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.448 ' HB2' HD22 ' A' ' 70' ' ' LEU . 28.1 m -97.69 151.73 37.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.8 33.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.75 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.25 40.35 5.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.31 140.92 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -126.74 122.32 34.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 1.5 m-85 -81.47 139.51 35.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -117.99 -29.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.419 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 51.7 p -139.0 151.0 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.732 HD23 HG12 ' A' ' 49' ' ' VAL . 6.8 mt -126.61 155.38 42.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.583 ' HA ' HG23 ' A' ' 27' ' ' THR . 50.5 ttt180 -143.5 103.89 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 6.1 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.532 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 20.3 tt -113.9 137.1 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -123.54 110.29 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.862 HD12 HG21 ' A' ' 37' ' ' THR . 2.6 mm? -98.16 150.83 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CG ' ' HA ' ' A' ' 17' ' ' PHE . 9.3 m-85 -134.21 114.24 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -43.77 -42.25 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -102.62 155.19 36.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 162.56 41.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 66.28 32.04 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.448 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.6 m-85 52.83 45.44 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -119.42 178.05 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.09 -158.01 38.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -58.01 134.5 56.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.9 p -126.13 136.83 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.92 121.0 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 p -109.28 145.34 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -127.12 121.92 32.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -86.73 -36.32 18.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.63 171.05 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 84' ' ' LEU . 84.0 m -59.64 133.26 55.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -115.05 148.63 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -112.33 -31.07 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -135.68 142.64 45.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 50.5 mm -96.36 145.74 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 102.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t0 57.21 32.04 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.2 p 46.05 35.57 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 1.4 p90 -56.24 116.98 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.477 ' HA ' HG23 ' A' ' 80' ' ' THR . 20.0 m -52.36 164.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.862 HG21 HD12 ' A' ' 11' ' ' LEU . 66.0 m -146.59 118.48 8.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -92.41 -37.61 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -123.86 158.13 32.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' HB2' HD13 ' A' ' 11' ' ' LEU . 14.0 p -146.04 172.0 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.03 113.2 7.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.72 136.27 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 t -156.06 110.52 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.79 70.97 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.81 162.77 32.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 m -80.45 163.62 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 34.3 m95 -140.19 122.53 15.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 61' ' ' VAL . 6.5 t -94.33 127.03 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 60' ' ' TYR . 3.5 m -111.09 118.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.416 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -110.69 126.34 54.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.964 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.26 12.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.68 146.76 16.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 56' ' ' THR . 43.3 mt-10 -67.75 143.14 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m120 67.85 32.47 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 56.93 44.16 23.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 53' ' ' GLU . 43.4 p -106.84 163.95 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.29 -133.54 11.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -100.23 147.99 25.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.3 OUTLIER -120.35 142.33 49.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.49 ' O ' HG22 ' A' ' 49' ' ' VAL . 3.3 m-85 -136.96 108.35 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.622 HG12 HG22 ' A' ' 48' ' ' VAL . 5.5 m -71.03 168.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.497 HD13 ' SG ' ' A' ' 40' ' ' CYS . 32.1 mt -145.83 124.14 12.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.96 169.94 17.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.5 114.64 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.11 170.23 31.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.03 115.33 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.403 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 99.3 m-85 -98.75 101.96 13.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.632 0.73 . . . . 0.0 110.968 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -33.2 17.07 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.1 p -137.29 174.07 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 75' ' ' CYS . 16.2 mt -72.44 -43.69 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -40.42 -61.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -38.03 18.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.403 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 31.0 mtp -74.11 -28.54 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.39 -32.81 6.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.412 ' HB2' HD22 ' A' ' 70' ' ' LEU . 17.1 m -55.03 147.75 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.85 44.33 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 81.62 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.254 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.72 55.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.477 HG23 ' HA ' ' A' ' 36' ' ' SER . 92.5 m -112.7 113.84 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.44 142.98 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -117.89 -35.57 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.5 p -136.48 153.71 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 49' ' ' VAL . 6.7 mt -126.74 163.07 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -149.75 106.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 47' ' ' TRP . 12.2 tt -128.44 154.47 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.7 t60 -139.7 109.98 6.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 37' ' ' THR . 2.5 mm? -98.65 152.6 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 86.5 m-85 -134.16 113.6 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -41.58 -49.58 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 44.4 mm-40 -96.41 157.61 35.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 166.04 28.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 60.76 31.96 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.9 m-85 55.4 45.54 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 81.5 mm-40 -115.86 178.2 4.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.25 -158.1 31.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.6 p -147.18 141.14 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -144.29 123.53 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.5 p -108.33 140.94 40.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' HG22 ' A' ' 9' ' ' ILE . 44.6 m-85 -128.61 134.48 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -106.56 -33.13 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -105.78 171.52 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.7 m -64.43 106.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 m -86.81 147.56 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -114.71 -30.82 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -132.76 142.51 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.21 147.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.07 102.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.78 32.0 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 p 46.18 33.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.2 p90 -52.34 118.04 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 34.5 m -52.04 158.51 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.735 HG21 HD12 ' A' ' 11' ' ' LEU . 98.2 m -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -100.7 -35.47 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 p -127.82 154.81 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.689 ' SG ' HD13 ' A' ' 62' ' ' LEU . 14.7 p -145.86 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' HIS . 6.8 ttm180 -141.91 108.58 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.06 142.53 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.77 116.0 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.91 62.03 1.63 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 161.54 24.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.8 m -79.1 164.74 24.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CB ' HD12 ' A' ' 9' ' ' ILE . 29.0 m95 -141.58 128.66 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.973 HG22 HG12 ' A' ' 61' ' ' VAL . 92.5 t -99.91 128.18 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' A' ' 84' ' ' LEU . 4.4 m -112.73 120.64 63.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -103.9 146.85 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -82.8 -18.11 41.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.08 161.11 13.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.17 152.95 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m120 66.58 33.75 6.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 54.2 41.55 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.1 p -101.95 168.13 9.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.05 -140.64 23.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -89.01 161.92 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.42 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 17.2 pt20 -132.15 144.21 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -136.99 105.28 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.973 HG12 HG22 ' A' ' 48' ' ' VAL . 3.3 m -72.84 151.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.689 HD13 ' SG ' ' A' ' 40' ' ' CYS . 29.0 mt -129.21 122.68 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.87 176.08 8.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.47 113.26 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.59 157.05 10.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.401 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 10.5 p-80 -81.02 111.52 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 73' ' ' MET . 97.4 m-85 -98.46 102.08 13.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.0 Cg_endo -69.77 -36.43 10.79 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.4 t -135.42 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 73' ' ' MET . 37.3 mt -70.11 -44.46 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -36.29 -61.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.85 -35.12 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.582 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 14.8 mtm -76.51 -30.31 57.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.6 -29.55 11.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 33.0 m -53.79 151.89 10.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.89 40.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 91.87 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.37 43.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.02 114.06 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.3 m -98.18 120.41 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 2.7 m-85 -83.26 138.36 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -117.94 -31.67 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.2 p -137.12 153.76 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.436 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.9 mt -129.95 156.28 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -142.43 104.79 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.438 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.4 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.591 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.0 tt -150.67 135.45 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 t60 -122.93 117.7 26.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.818 HD12 HG21 ' A' ' 37' ' ' THR . 1.5 mm? -102.2 155.51 18.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 21' ' ' SER . 69.8 m-85 -134.24 113.86 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -43.7 -45.63 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 36.3 mt-10 -100.58 156.07 35.63 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 165.4 31.13 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 62.51 32.39 16.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 54.11 46.8 24.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 91.0 mt-30 -118.09 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.63 -161.06 23.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -60.25 149.3 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.488 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 78.1 p -147.5 144.73 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -132.93 156.12 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.421 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 11.1 p -130.15 138.4 50.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -131.41 133.19 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.19 -33.02 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -105.11 162.54 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.56 HG23 ' HA ' ' A' ' 85' ' ' ARG . 58.0 m -59.93 106.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 m -94.03 151.24 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.465 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -117.96 -21.46 8.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 22.2 mp0 -129.19 148.05 51.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.0 mm -113.61 145.98 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.29 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 55.82 31.98 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 43.96 38.3 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -57.14 118.69 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.558 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 28.4 p -52.05 163.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.818 HG21 HD12 ' A' ' 11' ' ' LEU . 33.7 m -145.67 110.14 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -85.82 -33.51 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 p -129.36 150.83 50.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.536 ' HB2' HD13 ' A' ' 11' ' ' LEU . 20.2 p -142.62 169.02 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -141.7 105.98 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.88 149.33 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -158.03 105.71 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 87.37 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.44 162.03 30.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -77.7 164.61 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CB ' HD12 ' A' ' 9' ' ' ILE . 25.9 m95 -140.32 134.17 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 61' ' ' VAL . 17.8 t -100.79 137.65 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 60' ' ' TYR . 9.2 m -125.01 114.27 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 9.7 m-85 -100.15 150.34 22.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.98 17.91 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.63 143.15 13.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.78 144.62 56.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 m120 68.04 34.48 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 83' ' ' SER . 6.4 m-85 56.74 47.96 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.8 p -107.92 155.79 19.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.58 -132.79 11.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -98.75 169.23 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.58 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 7.9 pt20 -138.94 140.61 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.615 ' O ' HG22 ' A' ' 49' ' ' VAL . 8.4 m-85 -137.06 111.97 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.721 HG12 HG22 ' A' ' 48' ' ' VAL . 16.0 m -73.23 166.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD13 ' SG ' ' A' ' 40' ' ' CYS . 8.4 mt -144.9 125.55 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -76.15 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.22 115.68 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 170.71 -162.18 35.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -119.38 118.55 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 96.4 m-85 -108.97 101.94 46.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.682 0.753 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.77 -29.33 23.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.2 m -138.56 170.97 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' HB2' ' A' ' 75' ' ' CYS . 46.5 mt -70.93 -47.46 58.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.2 t -37.37 -62.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.26 -37.25 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.7 mtp -76.04 -26.95 57.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.74 -32.34 7.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.43 ' HB2' HD22 ' A' ' 70' ' ' LEU . 89.9 m -53.65 150.45 13.29 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.847 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 163.15 39.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 93.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.14 48.83 0.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.88 138.7 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.0 m -121.16 107.84 13.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.458 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 3.6 m-85 -69.26 137.38 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -118.01 -28.67 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.492 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 51.1 p -141.28 145.05 35.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.0 mt -119.62 157.3 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HA ' HG23 ' A' ' 27' ' ' THR . 36.5 ttt180 -143.35 108.12 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.3 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.56 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.1 tt -117.7 137.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.0 t60 -126.93 108.78 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -93.65 155.21 17.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 77.2 m-85 -133.87 117.77 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -46.56 -45.35 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.43 156.42 35.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.4 Cg_endo -69.81 165.85 29.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 62.48 33.82 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 52.54 41.57 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -115.41 178.93 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.14 -160.66 26.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -56.88 149.15 19.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.3 p -143.25 141.27 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -137.03 139.17 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.434 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 19.6 p -117.37 142.48 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.536 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 78.5 m-85 -127.97 109.18 11.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.71 -34.24 58.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -115.73 171.11 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.598 HG23 ' HA ' ' A' ' 85' ' ' ARG . 38.2 m -58.25 133.45 55.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 m -108.29 151.02 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -113.13 -32.58 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -141.59 126.14 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 42.3 mm -77.15 145.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.02 102.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.18 31.96 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 45.26 39.79 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -55.72 117.17 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 p -52.21 158.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.828 HG21 HD12 ' A' ' 11' ' ' LEU . 58.5 m -147.31 121.48 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 11.3 mttm -96.45 -32.03 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 p -125.25 155.27 40.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 p -143.01 172.01 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -145.42 113.39 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -101.38 140.46 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -157.69 108.92 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.48 58.31 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.45 163.89 21.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.3 m -84.33 165.56 18.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 32.6 m95 -140.6 134.93 31.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 59' ' ' GLN . 3.3 t -99.22 137.52 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 60' ' ' TYR . 4.9 m -125.26 113.75 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' HD1' ' HG ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -100.63 142.59 31.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.14 -13.43 59.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -111.03 163.58 12.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 56' ' ' THR . 15.1 mt-10 -79.49 153.69 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 m120 62.82 36.26 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 56.53 47.39 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 53' ' ' GLU . 81.0 p -107.57 159.44 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.79 -152.47 31.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -77.61 153.18 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 7.6 pt20 -125.45 136.89 53.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.627 ' O ' HG22 ' A' ' 49' ' ' VAL . 12.3 m-85 -129.76 114.1 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 48' ' ' VAL . 11.2 m -78.13 165.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.4 mt -138.63 123.25 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -81.73 163.22 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.33 111.47 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.81 156.12 10.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.34 110.8 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 103.12 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 110.92 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.26 17.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 56.3 m -139.26 177.64 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 75' ' ' CYS . 14.1 mt -72.18 -47.92 47.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.4 t -37.53 -59.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.7 -37.81 52.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.8 mtp -74.5 -29.78 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.88 -33.74 5.73 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.563 ' HB2' HD22 ' A' ' 70' ' ' LEU . 28.2 m -52.34 152.05 6.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 160.89 48.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 90.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.69 43.25 0.46 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.79 148.83 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.5 m -130.36 108.11 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.402 ' O ' HG13 ' A' ' 31' ' ' ILE . 1.4 m-85 -71.44 136.59 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.435 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 37.2 mttt -114.96 -30.21 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.469 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 24.8 p -135.95 153.78 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.536 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 12.0 mt -128.73 156.47 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.598 ' HA ' HG23 ' A' ' 27' ' ' THR . 62.5 ttt-85 -145.88 102.6 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.581 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.8 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.536 HD12 ' CB ' ' A' ' 47' ' ' TRP . 14.1 tt -102.87 149.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.508 ' ND1' ' CZ ' ' A' ' 12' ' ' PHE . 17.2 t-80 -135.95 106.05 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -100.87 143.21 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.508 ' CZ ' ' ND1' ' A' ' 10' ' ' HIS . 33.0 m-85 -124.57 115.64 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -39.54 -48.64 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 5.5 mm-40 -97.02 155.29 37.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 63.65 33.28 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 53.34 44.81 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 66.7 mt-30 -118.49 177.8 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.03 -158.83 29.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -54.06 153.19 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 p -145.43 140.26 27.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -142.71 131.84 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 p -113.96 143.81 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 62.7 m-85 -126.86 130.5 50.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.98 -32.2 10.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 170.13 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -58.75 124.02 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -103.61 145.13 30.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 p -112.08 -26.49 8.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -141.86 124.76 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.44 HG12 ' C ' ' A' ' 82' ' ' LYS . 46.2 mm -83.11 150.58 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -52.02 103.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t70 53.2 32.01 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 44.85 35.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -52.05 121.89 7.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.7 m -51.99 147.42 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.799 HG21 HD12 ' A' ' 11' ' ' LEU . 85.7 m -126.04 111.33 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -93.94 -36.34 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.8 p -125.93 151.37 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.626 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 31.6 p -142.87 168.78 18.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -145.55 102.03 3.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.3 137.58 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.34 104.12 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.15 67.21 1.0 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.95 167.02 28.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.506 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 m -85.17 163.05 18.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 27.2 m95 -140.0 125.94 19.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.044 HG22 HG12 ' A' ' 61' ' ' VAL . 58.8 t -98.47 122.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.46 ' HB ' ' CG ' ' A' ' 81' ' ' PHE . 4.2 m -105.57 121.63 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.517 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -109.82 126.53 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.53 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.9 t70 -80.25 14.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.43 125.31 4.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 11.9 mt-10 -51.99 147.41 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 29.0 m-80 64.73 35.83 8.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 83' ' ' SER . 17.3 m-85 52.94 43.32 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -105.32 162.17 13.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.23 -136.32 14.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -95.97 170.18 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.486 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 15.6 pt20 -138.97 135.45 34.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -130.77 116.27 17.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.044 HG12 HG22 ' A' ' 48' ' ' VAL . 10.5 m -78.7 167.67 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -146.59 123.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -81.64 160.66 23.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.58 122.77 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.64 157.44 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -83.28 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.626 ' HD2' ' HG ' ' A' ' 40' ' ' CYS . 83.4 m-85 -106.15 102.02 37.61 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.689 0.757 . . . . 0.0 110.934 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -34.45 14.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.59 173.64 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 37' ' ' THR . 40.7 mt -73.8 -47.57 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -39.77 -54.26 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.63 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.498 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 24.2 mtp -75.31 -29.23 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.78 -35.6 4.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.3 m -52.47 155.44 3.7 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 160.69 48.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.38 49.43 0.52 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.5 155.78 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.0 m -134.47 110.6 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.46 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 5.2 m-85 -78.89 135.52 37.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -112.4 -28.66 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.542 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 52.3 p -137.15 155.1 49.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.0 mt -131.97 165.39 24.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -152.25 102.15 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 3.4 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 24' ' ' PHE . 19.4 tt -126.41 143.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.594 ' ND1' ' CZ ' ' A' ' 12' ' ' PHE . 8.0 t-80 -129.16 110.45 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.854 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -101.66 146.3 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.594 ' CZ ' ' ND1' ' A' ' 10' ' ' HIS . 10.2 m-85 -134.13 112.59 11.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -38.71 -44.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 18.5 mt-10 -99.26 155.66 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' CG ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.81 166.75 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.15 32.19 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.7 m-85 54.57 47.02 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.443 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 23.9 mm100 -120.77 177.79 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.38 -157.89 46.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -52.21 136.36 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 p -120.23 137.11 54.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.57 119.77 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.458 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 20.0 p -116.74 141.4 48.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 9' ' ' ILE . 15.4 m-85 -125.18 139.87 53.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 -36.27 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -100.68 167.55 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.411 HG23 ' HA ' ' A' ' 85' ' ' ARG . 28.1 m -62.02 108.03 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -88.71 147.68 24.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -110.7 -32.97 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -132.93 145.9 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.402 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 43.7 mm -102.98 151.28 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.01 103.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 32.09 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 p 48.53 39.03 12.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.1 p90 -59.8 117.95 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.442 ' HA ' HG23 ' A' ' 80' ' ' THR . 27.8 p -51.93 157.4 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.854 HG21 HD12 ' A' ' 11' ' ' LEU . 74.9 m -126.58 116.14 20.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 1.7 mmpt? -85.97 -38.46 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 p -135.09 159.53 41.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.99 168.14 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -144.46 102.95 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 62' ' ' LEU . 88.3 t -96.06 138.79 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 t -157.87 104.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.92 53.34 0.97 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.03 175.2 19.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.47 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.7 m -91.24 165.04 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 43.4 m95 -145.99 115.62 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG22 HG12 ' A' ' 61' ' ' VAL . 90.3 t -90.64 131.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.482 HG12 ' CD2' ' A' ' 84' ' ' LEU . 7.0 m -115.93 121.47 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -102.31 130.59 49.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.38 -15.3 63.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.17 159.63 13.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -76.89 156.22 32.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m120 66.26 32.12 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 51.87 48.04 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -111.67 170.5 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.76 -144.47 28.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -79.65 155.96 27.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.43 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -130.3 137.58 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -134.0 115.38 14.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.037 HG12 HG22 ' A' ' 48' ' ' VAL . 3.0 m -83.8 146.96 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HB2' HG21 ' A' ' 42' ' ' VAL . 6.8 mt -119.89 122.95 42.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.01 175.6 9.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -74.74 114.59 13.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.54 142.08 3.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -70.13 111.31 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 93.7 m-85 -96.65 103.92 16.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.736 0.779 . . . . 0.0 110.891 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.75 -34.31 14.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.742 2.294 . . . . 0.0 112.325 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.8 t -134.42 170.49 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 36.1 mt -73.5 -46.71 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.7 m -38.46 -53.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' LEU . 26.9 mtp -74.9 -30.18 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.45 -33.87 5.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.408 ' HB2' HD22 ' A' ' 70' ' ' LEU . 16.4 m -52.15 144.07 22.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.41 57.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 94.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.85 43.16 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.1 130.27 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.442 HG23 ' HA ' ' A' ' 36' ' ' SER . 85.1 m -113.55 113.9 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -72.72 137.97 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -117.73 -33.23 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 p -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.482 ' CD2' HG12 ' A' ' 49' ' ' VAL . 4.1 mt -122.72 156.19 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.411 ' HA ' HG23 ' A' ' 27' ' ' THR . 33.4 ttp180 -141.78 112.7 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.555 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 12.4 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.715 0.293 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.7 tt -111.89 137.47 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.503 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 2.3 t60 -124.49 109.66 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.905 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -93.43 154.53 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -133.0 119.37 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -50.28 -49.86 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.96 157.63 34.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.84 33.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 62.59 32.22 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 52.36 42.0 30.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.74 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.06 -142.95 46.91 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -75.3 155.74 36.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -146.67 138.97 24.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -139.29 120.78 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.503 ' HB3' ' CG ' ' A' ' 10' ' ' HIS . 28.1 p -110.67 143.88 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CD1' HD11 ' A' ' 84' ' ' LEU . 54.2 m-85 -123.97 103.74 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.89 -39.0 90.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 27' ' ' THR . 2.9 pp20? -110.39 177.82 4.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' CD ' ' A' ' 26' ' ' GLU . 96.9 m -58.58 146.0 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.3 m -123.27 146.8 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -110.62 -32.17 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -143.22 135.12 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.425 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 35.0 mm -88.56 147.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.04 102.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 54.13 32.07 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 p 45.85 37.41 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -52.4 115.43 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -52.19 149.29 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.905 HG21 HD12 ' A' ' 11' ' ' LEU . 26.9 m -133.95 112.09 10.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -85.14 -28.42 25.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 p -135.9 150.97 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' CB ' HD13 ' A' ' 11' ' ' LEU . 18.0 p -138.93 172.48 12.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -143.91 105.91 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 95.7 t -94.4 127.12 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.6 t -149.11 103.74 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.54 33.56 1.57 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.493 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.3 178.7 16.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 m -86.68 162.69 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.48 ' CB ' HD12 ' A' ' 9' ' ' ILE . 41.8 m95 -145.31 126.66 14.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.081 HG22 HG12 ' A' ' 61' ' ' VAL . 55.4 t -97.98 122.49 49.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.645 HG12 ' CD2' ' A' ' 84' ' ' LEU . 11.3 m -109.33 125.93 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 5.3 m-85 -104.45 142.45 34.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.28 17.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.46 141.18 10.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -58.97 146.52 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 m120 66.98 36.01 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 54.24 39.15 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -101.6 160.63 14.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.96 -128.72 9.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -99.5 175.59 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.458 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 6.7 pt20 -143.88 137.63 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -135.96 110.26 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.081 HG12 HG22 ' A' ' 48' ' ' VAL . 4.8 m -76.43 162.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -143.21 125.43 15.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.99 166.35 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.04 114.72 2.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.37 156.52 10.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.67 112.77 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.408 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 92.3 m-85 -100.6 102.04 17.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.693 0.759 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.1 Cg_endo -69.74 -26.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.7 p -140.62 177.18 8.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' MET . 30.8 mt -77.34 -52.43 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' GLY . 22.8 t -35.03 -64.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.32 -37.2 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 32.1 mtp -74.4 -29.39 61.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.52 -34.0 5.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.5 m -52.0 158.06 1.9 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.725 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.68 170.11 17.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.6 48.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -97.89 134.12 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -123.51 109.65 14.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.99 134.86 53.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -117.99 -32.32 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.9 p -140.47 150.83 44.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.645 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.5 mt -121.44 165.28 15.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 ttt-85 -156.27 107.31 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 tt -128.34 147.16 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.425 ' CD2' ' HB3' ' A' ' 23' ' ' SER . 18.4 t-80 -126.22 108.16 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 37' ' ' THR . 2.9 mm? -97.93 148.2 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' A' ' 10' ' ' HIS . 2.6 m-85 -134.14 126.09 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.7 t -54.57 -42.53 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 49.5 mm-40 -101.68 156.22 35.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.74 165.73 29.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 62.6 33.61 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 52.45 43.85 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.424 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 75.4 mt-30 -118.16 178.95 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.31 -153.01 46.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -53.41 151.41 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.5 p -139.18 135.02 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 13.5 mt-30 -143.45 119.15 10.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.425 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 22.2 p -110.84 140.5 45.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.416 ' CD2' HD11 ' A' ' 84' ' ' LEU . 87.5 m-85 -122.83 122.15 37.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -88.02 -34.2 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -116.41 173.82 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.653 HG23 ' HA ' ' A' ' 85' ' ' ARG . 34.3 m -56.74 135.26 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.7 m -116.19 146.44 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t -117.98 -20.83 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -137.56 148.12 45.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 mm -112.71 148.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.46 102.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.45 31.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p 55.2 38.47 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -53.88 116.53 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 24.2 p -54.4 162.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.783 HG21 HD12 ' A' ' 11' ' ' LEU . 96.3 m -146.79 122.32 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -97.62 -28.33 13.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.2 p -130.18 154.4 47.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 20.6 p -145.63 162.38 37.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -141.83 101.98 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 48.1 t -84.29 141.67 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.96 106.32 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.52 31.57 2.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.06 -170.59 13.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -92.08 162.32 14.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -142.44 124.86 15.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.758 HG22 HG12 ' A' ' 61' ' ' VAL . 21.2 t -96.02 124.36 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 60' ' ' TYR . 9.7 m -109.07 127.09 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -110.23 128.68 55.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.18 59.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.56 150.98 17.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' CG ' ' HD3' ' A' ' 82' ' ' LYS . 39.1 mt-10 -71.2 154.08 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 3.0 m120 67.38 34.0 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.5 OUTLIER 55.16 44.22 28.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.0 p -108.74 176.79 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.0 -148.34 44.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -76.5 175.59 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 18.9 pt20 -146.98 137.72 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.566 ' O ' HG22 ' A' ' 49' ' ' VAL . 2.8 m-85 -134.46 111.07 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.758 HG12 HG22 ' A' ' 48' ' ' VAL . 4.1 m -75.79 161.73 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -140.55 123.21 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.44 158.34 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.04 113.72 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.79 -175.18 46.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -108.46 111.74 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.8 m-85 -100.73 102.08 18.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.701 0.762 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.82 -33.33 16.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -138.0 171.88 13.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.67 -45.98 60.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 t -41.27 -53.8 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.8 -36.33 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.526 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 27.1 mtp -76.11 -25.86 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -32.88 6.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.0 m -52.06 146.78 14.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.61 18.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.19 2.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.84 54.13 0.67 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.27 129.8 56.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.0 m -126.96 107.19 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.24 133.34 55.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 64.6 mttt -117.62 -24.87 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -149.26 150.18 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.0 mt -121.96 161.48 22.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.653 ' HA ' HG23 ' A' ' 27' ' ' THR . 49.3 ttt180 -156.87 109.88 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.0 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 4.2 tm0? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.508 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.8 tt -114.23 136.97 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.7 t60 -125.91 113.14 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.749 HD12 HG21 ' A' ' 37' ' ' THR . 2.6 mm? -96.97 151.01 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.63 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 31.1 m-85 -134.39 118.41 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -50.73 -44.51 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 14.9 mm-40 -97.55 155.45 37.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.58 41.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 63.2 33.46 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 52.43 44.98 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.428 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 77.0 mt-30 -114.0 179.07 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -154.27 35.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -65.4 139.11 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.3 p -135.19 148.08 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -137.69 158.11 45.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 p -136.3 139.52 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -127.41 103.72 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.17 -35.03 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -115.44 172.17 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 85' ' ' ARG . 86.5 m -56.49 145.3 28.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.564 ' HB ' HD12 ' A' ' 84' ' ' LEU . 53.3 m -126.56 147.92 49.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 p -111.13 -31.57 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -133.35 139.67 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.7 mm -95.71 146.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -52.0 105.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 2.0 p30 51.99 32.01 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 45.78 37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.99 118.25 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.461 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 18.6 t -55.66 168.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.749 HG21 HD12 ' A' ' 11' ' ' LEU . 8.7 m -151.18 112.94 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -82.91 -26.27 31.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 37' ' ' THR . 15.9 p -139.46 149.46 44.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.491 ' CB ' HD13 ' A' ' 11' ' ' LEU . 15.7 p -135.26 173.15 12.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' HIS . 10.6 ttm180 -146.77 107.1 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -97.19 146.46 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -155.01 110.63 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.62 65.69 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.56 161.38 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.543 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -80.44 166.12 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 28.3 m95 -140.64 138.82 34.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 61' ' ' VAL . 2.8 t -101.11 128.02 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 60' ' ' TYR . 8.5 m -115.76 117.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -100.04 158.54 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.9 -11.52 24.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.36 169.28 12.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 56' ' ' THR . 2.8 mp0 -81.47 150.25 28.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 60.59 38.58 18.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 54.6 43.45 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 53' ' ' GLU . 82.4 p -101.32 159.53 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.79 -131.85 10.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -96.0 176.3 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -149.57 144.17 26.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.576 ' O ' HG22 ' A' ' 49' ' ' VAL . 7.1 m-85 -137.07 114.64 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.452 HG12 HG22 ' A' ' 48' ' ' VAL . 7.5 m -77.72 163.94 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -140.82 126.7 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.29 161.82 27.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.21 122.27 15.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.35 -157.42 29.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.4 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -128.01 112.82 15.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 94.9 m-85 -98.47 102.01 13.26 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.701 0.762 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.0 Cg_endo -69.74 -24.12 30.12 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -143.88 172.88 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.71 -49.34 26.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLY . 38.6 t -39.17 -61.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.31 -36.49 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 30.9 mtp -75.37 -26.41 58.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 109.85 -32.66 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.39 144.38 23.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.49 30.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.272 . . . . 0.0 112.312 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 87.09 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.396 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.04 44.63 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.51 125.67 53.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -109.7 139.77 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -96.11 134.98 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -115.56 -30.78 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.5 p -136.56 152.65 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.564 HD12 ' HB ' ' A' ' 28' ' ' THR . 8.0 mt -125.96 161.22 28.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 27' ' ' THR . 48.4 ttt-85 -150.82 104.11 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.556 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.1 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.489 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.2 tt -129.41 148.63 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -129.24 107.36 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.023 HD12 HG21 ' A' ' 37' ' ' THR . 3.7 mm? -95.76 152.8 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -134.02 117.73 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.4 p -47.71 -49.02 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -96.33 155.75 37.67 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 162.94 40.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 65.49 32.32 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 54.07 44.85 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 78.1 mm-40 -118.5 178.07 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.96 -161.13 29.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -52.24 154.63 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.9 p -147.16 137.43 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -136.98 137.87 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 p -120.95 142.36 49.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -129.18 136.87 50.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -105.68 -32.07 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -105.52 163.09 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.526 HG23 ' HA ' ' A' ' 85' ' ' ARG . 69.9 m -60.32 103.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.737 ' HB ' HD12 ' A' ' 84' ' ' LEU . 53.0 m -86.26 151.05 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 3.9 t -117.96 -26.08 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -133.86 133.97 42.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.514 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 41.6 mm -90.1 144.89 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -50.86 102.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 22.7 t70 57.26 32.06 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.96 37.63 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -56.24 117.67 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.545 ' HA ' HG23 ' A' ' 80' ' ' THR . 47.0 p -52.4 160.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.023 HG21 HD12 ' A' ' 11' ' ' LEU . 54.1 m -145.03 116.38 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -90.24 -34.53 15.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 p -127.55 158.14 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 p -146.9 165.54 29.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -139.88 108.7 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -90.11 128.19 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -140.41 102.81 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 74.89 1.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.42 159.72 35.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.6 m -77.79 164.32 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.489 ' CB ' HD12 ' A' ' 9' ' ' ILE . 28.0 m95 -139.35 136.33 34.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.032 HG22 HG12 ' A' ' 61' ' ' VAL . 54.8 t -104.38 133.36 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 84' ' ' LEU . 5.2 m -119.7 119.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.534 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 2.7 m-85 -103.05 130.93 50.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -17.48 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.9 160.87 15.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HG2' ' CD ' ' A' ' 82' ' ' LYS . 13.3 mm-40 -78.76 156.61 28.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 11.7 m-80 62.59 32.32 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.7 OUTLIER 56.62 45.76 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' GLU . 63.9 p -108.8 170.33 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.9 -137.0 20.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -88.84 169.63 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.534 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 23.0 pt20 -142.97 134.86 26.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.435 ' O ' HG22 ' A' ' 49' ' ' VAL . 8.2 m-85 -129.72 110.37 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.032 HG12 HG22 ' A' ' 48' ' ' VAL . 5.8 m -74.72 163.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -141.04 123.34 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -78.96 155.57 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 1.3 tm-20 -58.47 129.53 42.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.89 -158.03 28.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -121.57 122.72 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.408 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 88.0 m-85 -116.2 102.07 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.75 -35.76 12.1 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.57 170.1 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 75' ' ' CYS . 36.0 mt -66.7 -45.62 78.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.3 t -38.6 -53.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.3 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 27.9 mtp -74.14 -27.93 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.59 -32.26 7.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.489 ' HB2' HD22 ' A' ' 70' ' ' LEU . 98.0 m -53.91 145.79 31.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.55 41.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 84.07 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.47 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.29 121.84 46.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.545 HG23 ' HA ' ' A' ' 36' ' ' SER . 26.7 m -111.05 107.0 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 31' ' ' ILE . 2.1 m-85 -67.23 138.03 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.458 ' CD ' ' HG2' ' A' ' 53' ' ' GLU . 61.6 mttt -118.0 -30.31 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.428 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 60.9 p -134.87 149.24 50.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 49' ' ' VAL . 2.0 mt -124.12 160.8 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' A' ' 27' ' ' THR . 49.9 ttt85 -149.49 110.19 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 5.1 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.515 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.1 tt -111.83 140.08 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -128.09 105.71 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.098 HD12 HG21 ' A' ' 37' ' ' THR . 3.6 mm? -90.86 155.09 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.27 117.21 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -43.84 -51.98 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 25.0 mt-10 -92.04 156.67 42.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 165.64 30.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.626 2.218 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 63.52 32.43 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 53.9 44.7 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 79.4 mt-30 -120.49 178.37 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.32 -158.28 46.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -57.59 149.36 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -135.02 146.43 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -146.39 129.96 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p -112.43 150.33 31.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.445 ' O ' ' CH2' ' A' ' 47' ' ' TRP . 88.9 m-85 -136.99 110.51 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.46 15.96 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -149.54 154.86 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.436 HG23 ' HA ' ' A' ' 85' ' ' ARG . 19.7 m -57.65 103.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.0 m -96.54 153.25 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -117.95 -22.96 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -134.41 141.63 46.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 34.6 mm -97.81 146.47 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -51.96 102.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 55.63 32.04 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 45.4 36.14 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.36 120.38 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.5 p -52.02 154.42 2.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.098 HG21 HD12 ' A' ' 11' ' ' LEU . 84.9 m -141.33 114.75 8.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.86 -33.19 13.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -124.97 166.76 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.5 p -151.52 171.7 17.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -143.59 117.43 9.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -106.49 139.78 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 t -157.72 103.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.26 65.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.32 170.59 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -89.61 165.15 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.526 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.1 m95 -143.04 116.67 9.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.8 HG22 HG12 ' A' ' 61' ' ' VAL . 21.4 t -87.97 135.02 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.674 HG12 HD23 ' A' ' 84' ' ' LEU . 5.6 m -120.74 120.38 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 1.2 m-85 -105.47 118.48 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -10.98 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.99 162.38 18.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 56' ' ' THR . 55.3 mt-10 -82.6 147.88 28.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.0 m120 61.71 39.63 14.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 58.7 47.88 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 53' ' ' GLU . 69.5 p -113.97 161.27 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.72 -150.61 26.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -75.41 165.48 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 10.6 pt20 -139.88 127.79 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.47 113.89 18.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.8 HG12 HG22 ' A' ' 48' ' ' VAL . 5.5 m -75.14 151.13 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -128.17 122.65 32.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.29 166.41 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.26 125.3 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.48 133.58 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.79 110.29 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 73.3 m-85 -94.27 105.77 19.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.669 0.747 . . . . 0.0 110.972 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.96 5.91 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 57.1 m -141.3 176.52 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.821 HD22 ' HB2' ' A' ' 75' ' ' CYS . 37.0 mt -67.97 -43.68 78.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.7 t -41.85 -57.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.2 66.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 29.7 mtp -74.18 -30.07 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.26 18.79 15.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.821 ' HB2' HD22 ' A' ' 70' ' ' LEU . 71.0 m -101.94 152.5 38.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.467 ' C ' ' H ' ' A' ' 78' ' ' GLY . 54.1 Cg_endo -69.76 161.87 44.27 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 18.11 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 76' ' ' PRO . . . -156.33 55.59 0.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -120.75 134.83 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 102.04 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.454 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 2.8 m-85 -59.04 134.24 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.487 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 82.7 mttt -117.99 -24.51 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.6 p -139.38 154.7 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.674 HD23 HG12 ' A' ' 49' ' ' VAL . 6.1 mt -128.09 161.68 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.436 ' HA ' HG23 ' A' ' 27' ' ' THR . 17.0 ttt180 -150.62 106.2 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.526 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 15.8 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.807 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -128.81 149.75 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.493 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 t60 -130.93 116.08 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 37' ' ' THR . 3.0 mm? -102.34 151.4 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 46.3 m-85 -133.39 112.94 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 t -40.16 -45.24 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 11.4 mt-10 -100.39 158.9 31.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 54.0 Cg_endo -69.78 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 56.57 36.22 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.472 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 51.99 43.45 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 50.7 mt-30 -111.98 178.14 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.93 -155.4 26.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -60.82 156.06 18.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.4 p -147.02 144.49 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -141.99 125.23 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.408 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 37.2 p -106.34 143.53 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.445 ' CD2' HD11 ' A' ' 84' ' ' LEU . 81.1 m-85 -125.7 121.67 34.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -87.54 -35.79 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -113.24 172.63 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 85' ' ' ARG . 88.7 m -60.88 124.67 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.492 ' HB ' HD12 ' A' ' 84' ' ' LEU . 96.2 m -102.81 144.29 31.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.8 p -110.7 -26.35 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -139.42 132.63 29.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.404 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 23.7 mm -89.94 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.03 103.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 55.14 31.98 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 45.0 36.58 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -54.45 117.74 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.627 ' HA ' HG23 ' A' ' 80' ' ' THR . 23.3 p -52.07 164.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.031 HG21 HD12 ' A' ' 11' ' ' LEU . 53.8 m -151.53 116.95 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 10.3 mttm -91.39 -31.54 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -127.25 155.39 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.686 ' SG ' HD13 ' A' ' 62' ' ' LEU . 21.2 p -146.96 164.92 31.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -135.36 102.56 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 62.0 t -86.54 130.23 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 t -156.15 108.97 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.26 -17.98 9.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.491 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 163.14 -170.94 38.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 36.5 m -87.73 158.1 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -144.18 120.14 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.093 HG22 HG12 ' A' ' 61' ' ' VAL . 2.5 t -88.28 112.79 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 81' ' ' PHE . 3.7 m -96.92 110.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 2.4 m-85 -98.85 134.16 42.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.96 -17.18 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.96 164.16 12.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -78.64 153.36 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 m120 65.43 37.3 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HA ' ' CG ' ' A' ' 50' ' ' TYR . 3.3 m-85 52.45 42.87 31.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -99.7 174.98 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.12 -146.78 49.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -71.36 166.17 22.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 14.9 pt20 -143.14 129.97 20.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' O ' HG22 ' A' ' 49' ' ' VAL . 5.2 m-85 -136.42 116.35 13.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.093 HG12 HG22 ' A' ' 48' ' ' VAL . 5.3 m -87.8 145.19 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.686 HD13 ' SG ' ' A' ' 40' ' ' CYS . 13.5 mt -120.42 122.52 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -82.59 168.15 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.96 114.73 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.78 141.05 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.07 118.57 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 98.5 m-85 -108.31 101.97 44.62 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.703 0.763 . . . . 0.0 110.908 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.71 -29.74 23.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.325 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.0 p -133.56 176.97 8.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.85 -47.67 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -41.66 -59.5 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.0 -34.84 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 33.7 mtp -75.48 -27.02 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.87 20.02 22.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.37 154.85 37.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.82 48.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.21 41.05 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.59 108.93 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 36' ' ' SER . 85.4 m -97.7 104.16 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.54 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 3.6 m-85 -62.64 136.83 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -117.83 -24.94 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 p -145.27 151.34 38.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.492 HD12 ' HB ' ' A' ' 28' ' ' THR . 3.4 mt -124.87 159.55 30.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' HA ' HG23 ' A' ' 27' ' ' THR . 31.3 ttt180 -150.14 120.23 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.56 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.9 tt -146.43 130.75 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.444 ' CD2' ' CE1' ' A' ' 12' ' ' PHE . 3.5 t60 -122.73 105.2 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.82 HD12 HG21 ' A' ' 37' ' ' THR . 3.2 mm? -86.59 158.09 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 10' ' ' HIS . 58.2 m-85 -134.29 127.01 30.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -57.09 -45.58 83.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.444 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 32.1 mt-10 -100.46 157.99 32.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 161.9 44.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 64.25 31.99 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 55.14 46.31 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 41.5 mm-40 -117.04 177.62 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.26 -162.51 28.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -59.59 156.05 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.452 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 2.8 m -136.77 159.42 41.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 7.3 mp0 -149.75 119.44 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.422 ' HB2' ' ND1' ' A' ' 10' ' ' HIS . 38.7 t -103.68 151.32 23.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 88.7 m-85 -142.09 104.71 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.86 7.24 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -149.04 173.13 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 84' ' ' LEU . 33.5 m -71.79 112.32 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.725 ' CG2' HD12 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -98.7 158.37 15.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -118.03 -19.51 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -140.51 144.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.403 HG12 ' C ' ' A' ' 82' ' ' LYS . 41.3 mm -100.77 145.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.99 102.35 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 57.09 32.78 22.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 44.67 32.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 22' ' ' GLN . 1.2 p90 -52.06 119.66 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 8.4 t -52.02 161.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.82 HG21 HD12 ' A' ' 11' ' ' LEU . 87.3 m -143.47 116.84 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -95.87 -35.74 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -128.07 155.89 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.556 ' HB2' HD13 ' A' ' 11' ' ' LEU . 20.2 p -145.42 168.24 20.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -136.68 105.03 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 47.4 t -89.96 136.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -157.77 105.91 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 37.92 2.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.472 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 117.49 -173.62 14.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.2 m -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CB ' HD12 ' A' ' 9' ' ' ILE . 36.5 m95 -139.9 134.61 31.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.949 HG22 HG12 ' A' ' 61' ' ' VAL . 40.4 t -106.41 128.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.707 HG12 HD23 ' A' ' 84' ' ' LEU . 6.3 m -114.51 124.4 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 25.2 m-85 -105.3 136.02 45.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.19 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.86 164.07 13.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 56' ' ' THR . 5.1 mm-40 -81.99 149.38 28.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 9.0 m120 61.69 40.46 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 59.34 46.84 12.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 53' ' ' GLU . 79.3 p -114.52 159.91 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.69 -151.95 25.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.422 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -73.35 175.85 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 21.3 pt20 -146.6 139.74 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.492 ' O ' HG22 ' A' ' 49' ' ' VAL . 13.9 m-85 -135.3 106.39 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.949 HG12 HG22 ' A' ' 48' ' ' VAL . 4.7 m -73.12 161.67 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.451 HD13 ' SG ' ' A' ' 40' ' ' CYS . 10.7 mt -143.03 124.82 15.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -81.6 167.94 18.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.52 116.94 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.94 165.62 23.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -93.5 110.4 21.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.9 m-85 -97.43 104.35 19.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.677 0.751 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -34.85 13.64 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.655 2.236 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -135.54 170.93 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' MET . 20.2 mt -70.35 -46.52 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -38.39 -57.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.1 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 24.8 mtp -81.98 14.37 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.83 18.96 34.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 98.3 m -103.96 150.66 38.49 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 3.72 2.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.91 61.01 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.32 118.99 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.01 104.06 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.62 137.51 58.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' C ' HG12 ' A' ' 31' ' ' ILE . 32.1 mttt -117.56 -26.36 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.6 p -142.8 162.17 36.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.725 HD12 ' CG2' ' A' ' 28' ' ' THR . 2.5 mt -130.06 160.57 33.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -157.12 108.23 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.556 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.1 tt -126.51 147.79 31.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 21' ' ' SER . 15.1 t-80 -131.84 107.77 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.971 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -92.25 149.7 21.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -134.42 114.06 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.4 t -43.33 -44.4 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.43 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 71.9 mm-40 -100.45 154.61 37.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 164.41 34.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.95 31.97 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 54.21 46.17 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 68.0 mt-30 -117.73 178.04 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.66 -160.11 15.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -56.11 151.41 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 62.6 p -145.04 136.19 24.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -136.61 119.91 16.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 25.7 p -106.54 144.95 32.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -128.41 140.3 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.45 -32.7 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.99 154.0 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.493 HG23 ' HA ' ' A' ' 85' ' ' ARG . 90.3 m -52.22 107.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.771 ' HB ' HD12 ' A' ' 84' ' ' LEU . 19.7 m -92.99 151.74 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.7 t -117.95 -25.95 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -129.94 127.42 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.431 HG12 ' C ' ' A' ' 82' ' ' LYS . 49.8 mm -86.27 144.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.6 102.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 55.6 32.05 18.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 44.94 36.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.8 p90 -57.44 117.02 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.501 ' HA ' HG23 ' A' ' 80' ' ' THR . 59.5 p -53.7 157.65 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.971 HG21 HD12 ' A' ' 11' ' ' LEU . 23.0 m -143.25 124.64 14.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -98.91 -26.07 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' PRO . 51.3 p -135.44 153.89 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.538 ' CB ' HD13 ' A' ' 11' ' ' LEU . 15.3 p -144.34 171.78 13.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -138.99 108.17 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 62' ' ' LEU . 98.3 t -96.03 136.72 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -151.55 109.35 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.69 66.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.61 159.56 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.7 m -78.77 166.77 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.819 ' O ' HD22 ' A' ' 62' ' ' LEU . 34.8 m95 -139.98 130.33 25.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.688 HG22 HG12 ' A' ' 61' ' ' VAL . 96.9 t -103.42 129.65 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.938 HG12 HD23 ' A' ' 84' ' ' LEU . 3.2 m -120.76 120.07 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 4.3 m-85 -99.41 151.45 21.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.15 -16.95 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.72 168.29 13.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -80.7 154.98 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 64.1 m-80 63.61 35.66 11.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 53.81 48.0 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 165.4 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 -152.77 42.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.37 175.68 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 5.2 pt20 -155.9 132.3 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.522 ' HB2' HG23 ' A' ' 49' ' ' VAL . 92.3 m-85 -118.04 111.67 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.688 HG12 HG22 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -89.89 122.33 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.123 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.819 HD22 ' O ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -104.38 123.11 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -79.01 165.23 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.7 110.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.03 128.26 0.94 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -56.22 114.93 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 69.2 m-85 -99.41 101.97 14.83 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.692 0.758 . . . . 0.0 110.933 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 39' ' ' SER . 53.5 Cg_endo -69.76 -31.86 19.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.55 158.99 43.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.835 HD22 ' HB2' ' A' ' 75' ' ' CYS . 41.6 mt -60.56 -42.95 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 66.5 m -37.72 -59.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.06 -37.36 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.458 ' HB3' HD12 ' A' ' 62' ' ' LEU . 34.1 mtp -74.14 -29.97 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.79 22.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.835 ' HB2' HD22 ' A' ' 70' ' ' LEU . 82.0 m -100.35 150.37 36.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 158.53 56.69 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.35 49.07 0.2 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.19 132.76 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' ' 36' ' ' SER . 91.8 m -119.16 103.75 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.41 ' O ' HG13 ' A' ' 31' ' ' ILE . 2.6 m-85 -65.11 140.22 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.431 ' C ' HG12 ' A' ' 31' ' ' ILE . 36.5 mttt -116.63 -29.47 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 p -136.17 145.02 45.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.938 HD23 HG12 ' A' ' 49' ' ' VAL . 3.5 mt -117.56 158.41 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' HG23 ' A' ' 27' ' ' THR . 38.0 ttt85 -151.73 108.28 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.2 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.694 HD12 ' CB ' ' A' ' 47' ' ' TRP . 14.8 tt -124.3 153.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -136.09 106.81 6.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.875 HD12 HG21 ' A' ' 37' ' ' THR . 3.2 mm? -91.05 154.17 19.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -134.14 118.68 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.0 t -49.79 -43.52 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.414 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 38.1 mt-10 -102.93 155.85 36.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.72 163.01 39.82 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 63.65 32.93 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 53.25 45.56 28.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 57.1 mm-40 -116.17 178.58 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 -156.38 23.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -64.03 154.63 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.9 137.42 23.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -130.41 122.66 28.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -105.3 139.91 39.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 51.1 m-85 -126.58 139.35 53.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.86 -33.38 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -103.36 166.12 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.522 HG23 ' HA ' ' A' ' 85' ' ' ARG . 28.4 m -65.06 107.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.581 ' HB ' HD12 ' A' ' 84' ' ' LEU . 62.2 m -94.41 149.97 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -117.97 -18.09 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -136.12 141.83 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.406 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 29.7 mm -107.32 145.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -52.02 102.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 55.09 32.0 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.89 36.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.27 116.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.475 ' HA ' HG23 ' A' ' 80' ' ' THR . 25.8 p -53.95 160.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.875 HG21 HD12 ' A' ' 11' ' ' LEU . 23.6 m -143.9 116.62 8.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 13.3 mtpt -87.77 -29.86 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG2' ' A' ' 37' ' ' THR . 13.2 p -132.87 158.24 43.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -145.8 172.17 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -140.51 119.28 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.539 HG13 ' HD1' ' A' ' 47' ' ' TRP . 59.9 t -105.35 133.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.5 t -148.02 107.53 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.2 66.47 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 104.42 164.02 24.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.8 m -83.14 162.18 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.895 ' O ' HD22 ' A' ' 62' ' ' LEU . 48.8 m95 -135.01 129.2 33.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.662 HG22 HG12 ' A' ' 61' ' ' VAL . 45.1 t -104.86 129.27 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.894 HG12 HD23 ' A' ' 84' ' ' LEU . 3.2 m -119.53 113.01 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 18.2 m-85 -93.25 142.05 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.05 -12.74 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.65 168.98 13.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.443 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -85.03 152.69 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.821 0.344 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 17.3 m-80 63.57 35.19 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 56.92 47.85 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -114.49 143.53 44.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -161.54 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -54.14 175.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.484 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 9.1 pt20 -152.24 130.76 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.465 ' CG ' ' SG ' ' A' ' 75' ' ' CYS . 82.0 m-85 -122.08 107.64 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.662 HG12 HG22 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -88.94 120.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.895 HD22 ' O ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -100.79 123.54 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -74.7 164.06 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.38 116.35 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.69 -146.69 9.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -134.55 106.4 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 83.4 m-85 -98.79 102.04 13.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.699 0.761 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.79 -29.23 24.03 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.4 m -140.23 175.88 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.514 HD21 ' O ' ' A' ' 37' ' ' THR . 32.4 mt -74.23 -44.14 54.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' GLY . 12.3 t -40.07 -64.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.24 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.53 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 27.5 mtp -73.93 -25.31 59.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.5 -30.45 7.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 60' ' ' TYR . 87.6 m -55.06 149.01 26.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.4 24.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 89.03 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.75 43.93 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.39 158.93 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 36' ' ' SER . 96.9 m -139.68 131.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 3.0 m-85 -93.5 139.46 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -116.47 -25.23 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.8 p -143.39 151.31 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.894 HD23 HG12 ' A' ' 49' ' ' VAL . 1.3 mt -124.05 151.52 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.522 ' HA ' HG23 ' A' ' 27' ' ' THR . 19.9 ttm-85 -137.36 109.55 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -125.78 123.97 39.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -147.47 158.58 44.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.09 -127.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -77.66 128.59 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -64.1 153.69 36.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.485 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -130.77 149.07 19.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -163.74 152.51 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.521 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.3 tt -127.31 143.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.596 ' ND1' ' CZ ' ' A' ' 12' ' ' PHE . 12.8 t-80 -122.56 109.38 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.037 HD12 HG21 ' A' ' 37' ' ' THR . 2.5 mm? -96.92 147.53 23.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.596 ' CZ ' ' ND1' ' A' ' 10' ' ' HIS . 57.6 m-85 -134.09 116.86 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 t -46.28 -48.34 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 34.2 mm-40 -95.65 158.16 34.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 163.83 36.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 62.7 33.27 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.48 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 m-85 53.53 45.2 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.427 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 60.7 mt-30 -117.89 178.38 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.57 -143.6 45.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -68.4 154.06 42.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.758 0.313 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -141.79 145.48 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.426 ' CD ' ' CE2' ' A' ' 35' ' ' PHE . 33.1 mt-30 -149.56 122.67 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -107.71 141.3 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -128.29 117.98 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.14 -30.53 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -113.12 169.78 8.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.478 HG23 ' HA ' ' A' ' 85' ' ' ARG . 60.1 m -61.78 119.77 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.449 ' HB ' HD12 ' A' ' 84' ' ' LEU . 51.9 m -99.55 152.41 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -116.84 -32.09 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -134.27 135.24 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.5 mm -89.58 146.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.03 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.99 32.04 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 p 46.89 38.24 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.29 118.05 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 p -53.1 162.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.037 HG21 HD12 ' A' ' 11' ' ' LEU . 51.5 m -145.44 115.01 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -89.33 -38.23 14.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -125.52 154.02 42.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -143.6 168.89 18.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -140.29 108.62 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.6 t -89.41 142.28 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -154.56 106.83 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.403 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 82.93 82.3 0.92 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.12 161.48 37.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.765 ' CB ' HD12 ' A' ' 87' ' ' ILE . 67.4 m -83.58 165.39 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CB ' HD12 ' A' ' 9' ' ' ILE . 43.8 m95 -138.38 130.13 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.063 HG22 HG12 ' A' ' 61' ' ' VAL . 80.1 t -102.44 131.09 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.431 HG12 ' CD2' ' A' ' 84' ' ' LEU . 3.0 m -116.47 118.72 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 2.1 m-85 -103.52 130.22 50.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.04 -16.4 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.98 163.83 12.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' HG3' ' CD ' ' A' ' 82' ' ' LYS . 37.1 mt-10 -79.94 157.15 26.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m120 62.29 35.68 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.27 43.11 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -107.87 164.45 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 -145.21 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -83.03 152.15 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.41 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 8.9 pt20 -126.44 134.94 50.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.426 ' O ' HG22 ' A' ' 49' ' ' VAL . 5.6 m-85 -130.26 107.24 9.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.063 HG12 HG22 ' A' ' 48' ' ' VAL . 9.4 m -74.22 166.72 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -142.87 123.64 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.99 173.09 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.81 118.22 16.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.65 -164.86 38.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -119.17 114.78 22.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 98.0 m-85 -102.53 102.02 23.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.8 Cg_endo -69.77 -30.74 21.75 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.6 p -136.04 176.5 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.703 HD22 ' HB2' ' A' ' 75' ' ' CYS . 14.1 mt -77.06 -50.37 13.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.1 t -36.58 -55.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.28 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' LEU . 25.2 mtp -75.79 -30.03 58.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -32.93 5.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.703 ' HB2' HD22 ' A' ' 70' ' ' LEU . 11.2 m -52.21 143.84 24.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.03 43.64 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.728 2.285 . . . . 0.0 112.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 89.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.34 44.9 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.6 143.8 32.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.077 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.5 m -128.72 113.1 14.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.87 134.8 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.443 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 73.8 mttt -113.3 -31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 p -132.02 157.05 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.449 HD12 ' HB ' ' A' ' 28' ' ' THR . 5.9 mt -134.8 152.84 52.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.478 ' HA ' HG23 ' A' ' 27' ' ' THR . 55.3 ttt180 -140.51 104.67 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.485 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 3.1 t80 -65.51 122.25 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.925 HD11 HG23 ' A' ' 48' ' ' VAL . 3.7 mt -101.3 117.2 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' GLY . 26.1 t -70.78 3.64 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' SER . . . 33.86 -96.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 88' ' ' SER . 54.0 Cg_endo -69.74 144.96 55.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.8 t -143.99 126.86 16.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -60.31 -54.79 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -106.28 148.4 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -103.77 146.8 28.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.12 122.4 2.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -103.33 157.77 16.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -107.59 133.77 51.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -109.35 136.97 13.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -157.8 129.67 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.545 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.1 tt -101.71 144.92 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.51 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t60 -127.54 110.39 12.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 37' ' ' THR . 2.8 mm? -96.93 151.48 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.51 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 79.0 m-85 -134.15 112.97 11.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.0 t -43.24 -50.41 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 10.8 mt-10 -94.8 158.45 35.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 164.7 33.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 60.99 32.67 19.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.47 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 54.65 45.88 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.425 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 31.3 mt-30 -117.47 178.21 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.04 -154.24 44.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -59.42 148.72 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 p -138.06 141.8 40.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.449 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 81.0 mt-30 -144.67 126.87 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p -111.27 147.9 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -130.18 133.64 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -103.5 -33.56 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.08 165.34 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 85' ' ' ARG . 93.2 m -55.84 112.49 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.597 ' HB ' HD12 ' A' ' 84' ' ' LEU . 52.2 m -89.62 149.72 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.3 p -117.93 -30.34 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -137.58 131.25 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.1 mm -86.18 145.33 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -52.02 102.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 56.03 32.0 19.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 p 45.42 38.08 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -56.01 118.1 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 p -52.48 162.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.02 HG21 HD12 ' A' ' 11' ' ' LEU . 29.0 m -147.47 116.5 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -90.38 -29.87 17.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -133.48 153.86 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.45 172.65 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -143.99 113.11 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.77 135.31 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -149.86 106.15 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 85.97 84.83 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' HA2' ' N ' ' A' ' 90' ' ' PRO . . . 87.59 162.27 37.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.488 ' HB2' HD12 ' A' ' 87' ' ' ILE . 65.0 m -82.37 163.82 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.578 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.8 m95 -139.33 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.859 ' CG2' HD11 ' A' ' 87' ' ' ILE . 12.9 t -100.46 130.06 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 60' ' ' TYR . 4.7 m -115.17 121.34 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 24.6 m-85 -103.04 142.12 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.54 -12.53 59.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.07 166.92 12.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.94 150.99 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.2 m120 66.47 39.15 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 55.06 42.39 30.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -106.9 169.09 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.34 -163.76 50.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -70.33 143.39 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -116.23 142.05 47.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.466 ' O ' HG22 ' A' ' 49' ' ' VAL . 3.4 m-85 -134.95 104.46 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.604 HG12 HG22 ' A' ' 48' ' ' VAL . 3.9 m -69.15 161.5 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -142.54 122.91 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -81.66 164.27 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.05 124.94 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.54 -171.45 40.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.39 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.475 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 97.5 m-85 -100.05 102.0 16.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.682 0.753 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.3 Cg_endo -69.82 -29.7 23.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.29 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.18 170.53 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' MET . 51.4 mt -67.13 -48.19 68.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.2 t -38.04 -60.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -37.49 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 25.3 mtp -75.28 -27.5 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.15 -33.97 5.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 56.4 m -55.46 151.65 19.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.09 54.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 84.81 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.07 42.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.68 162.08 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.1 m -141.02 124.24 16.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -87.9 135.57 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -110.92 -32.82 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.421 ' O ' HD23 ' A' ' 84' ' ' LEU . 85.0 p -135.8 168.03 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.597 HD12 ' HB ' ' A' ' 28' ' ' THR . 3.9 mt -142.32 157.96 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 27' ' ' THR . 16.6 ttt85 -145.27 104.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 3.3 t80 -69.18 111.37 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.859 HD11 ' CG2' ' A' ' 48' ' ' VAL . 9.4 mt -89.74 103.77 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 t -54.99 104.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.29 114.17 3.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.423 ' N ' ' HA2' ' A' ' 45' ' ' GLY . 54.3 Cg_endo -69.78 3.03 3.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.364 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t -97.68 169.42 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -116.89 110.16 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -71.45 -56.07 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.2 p -150.86 159.99 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.77 50.91 0.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 m -86.69 -44.32 11.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.376 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -46.01 -27.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 161.7 137.31 2.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -157.78 135.95 10.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.706 0.288 . . . . 0.0 110.94 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.511 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.4 tt -111.58 137.17 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -121.96 107.76 12.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.992 HD12 HG21 ' A' ' 37' ' ' THR . 3.3 mm? -94.97 151.43 19.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 17' ' ' PHE . 33.1 m-85 -134.5 118.11 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.8 p -49.57 -35.09 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 59.1 mm-40 -109.58 157.77 36.53 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.634 0.731 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 62.35 34.45 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.7 m-85 52.1 44.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 73.0 mt-30 -113.64 178.19 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -156.99 30.52 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -61.99 144.23 55.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.814 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.0 p -136.49 143.75 43.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -141.19 135.19 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -117.75 149.16 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 70.5 m-85 -133.26 138.74 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -109.03 -28.12 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -109.86 163.25 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 m -59.1 102.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -87.81 146.61 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.2 t -117.9 -23.63 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -131.86 137.96 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 20.1 mm -100.46 146.25 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.0 102.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.6 t0 56.5 32.05 20.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 p 46.09 38.02 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -57.92 116.88 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' HG23 ' A' ' 80' ' ' THR . 73.8 m -57.24 162.47 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.992 HG21 HD12 ' A' ' 11' ' ' LEU . 17.6 m -142.07 117.96 10.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -88.3 -27.5 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 p -138.26 153.94 49.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.596 ' CB ' HD13 ' A' ' 11' ' ' LEU . 13.3 p -144.95 167.89 21.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -139.5 111.43 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' A' ' 62' ' ' LEU . 85.9 t -99.31 140.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.5 114.16 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.423 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 89.73 58.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 106.65 159.34 21.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.501 ' C ' HD12 ' A' ' 87' ' ' ILE . 65.6 m -79.77 165.22 23.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.511 ' CB ' HD12 ' A' ' 9' ' ' ILE . 30.2 m95 -141.65 134.16 28.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.027 HG23 HD11 ' A' ' 87' ' ' ILE . 97.0 t -104.08 137.18 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.601 HG12 HD23 ' A' ' 84' ' ' LEU . 4.5 m -122.6 120.57 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -100.18 135.94 40.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -69.98 -15.68 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.66 168.98 14.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' THR . 18.4 mm-40 -85.25 153.82 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.459 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 28.8 m-80 64.93 34.15 9.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER 55.54 45.95 23.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' GLU . 66.1 p -105.41 176.74 5.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.33 -143.12 38.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -85.3 163.25 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -131.59 137.2 48.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -130.93 117.66 19.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.023 HG12 HG22 ' A' ' 48' ' ' VAL . 10.7 m -82.77 166.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 42' ' ' VAL . 8.0 mt -141.85 124.62 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -72.76 162.92 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.73 120.71 15.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.6 -174.86 36.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 121.46 42.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 95.7 m-85 -109.71 102.03 48.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.75 -28.72 24.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 p -138.02 175.44 9.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.61 -47.89 29.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -39.28 -57.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.81 -37.86 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 mtp -74.76 -29.68 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.61 -34.39 5.16 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 64.8 m -52.1 149.41 9.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.8 33.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 86.51 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.51 41.39 0.36 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.74 123.96 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 36' ' ' SER . 51.9 m -108.46 118.57 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -80.94 137.76 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -117.9 -27.44 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -141.96 145.18 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 49' ' ' VAL . 2.3 mt -119.13 161.03 21.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -148.09 109.19 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.485 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.8 t80 -68.7 112.28 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.027 HD11 HG23 ' A' ' 48' ' ' VAL . 3.1 mt -92.07 103.39 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -64.07 104.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.22 -103.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.49 2.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.623 2.216 . . . . 0.0 112.381 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.5 m -85.11 -59.87 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -120.33 104.04 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 p 52.02 40.09 27.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -69.12 153.35 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.82 52.27 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -65.58 -57.86 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -159.97 165.16 32.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . -92.26 144.63 17.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -156.45 137.45 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.666 HD12 ' CB ' ' A' ' 47' ' ' TRP . 13.4 tt -116.43 141.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.585 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -126.64 109.22 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.777 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -97.27 152.46 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 38.4 m-85 -134.74 116.38 14.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 t -45.7 -49.54 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.62 157.17 35.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.07 28.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 62.52 31.94 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 52.13 43.44 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -117.01 178.36 4.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.39 48.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -59.55 153.26 20.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.2 p -139.15 139.58 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -142.18 119.95 11.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -108.77 143.52 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -128.66 107.86 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.65 -33.91 64.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -115.17 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.597 HG23 ' HA ' ' A' ' 85' ' ' ARG . 31.3 m -57.01 143.74 36.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.62 ' HB ' HD12 ' A' ' 84' ' ' LEU . 55.3 m -121.77 148.58 44.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.6 p -114.97 -31.15 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -138.74 120.15 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 48.9 mm -71.77 144.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.96 102.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t0 56.68 31.99 20.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 p 46.15 34.94 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.5 p90 -55.25 116.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.8 t -53.28 163.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.777 HG21 HD12 ' A' ' 11' ' ' LEU . 70.2 m -150.24 126.42 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -98.57 -29.58 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -130.77 155.39 46.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' A' ' 62' ' ' LEU . 17.8 p -147.05 169.7 18.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -141.09 114.96 9.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.5 t -101.53 138.56 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -156.79 111.09 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.44 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 92.75 56.92 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.2 161.08 21.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.558 ' CB ' HD12 ' A' ' 87' ' ' ILE . 58.7 m -80.76 165.43 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.666 ' CB ' HD12 ' A' ' 9' ' ' ILE . 37.0 m95 -139.85 129.79 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG22 HD11 ' A' ' 87' ' ' ILE . 3.5 t -95.02 123.9 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 60' ' ' TYR . 2.8 m -112.39 113.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 4.2 m-85 -101.74 143.7 31.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -86.78 17.21 4.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.72 151.04 22.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 56' ' ' THR . 29.9 mt-10 -65.84 150.52 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 m120 62.45 35.19 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 53.41 41.67 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 53' ' ' GLU . 73.2 p -97.79 172.44 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.19 -128.07 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -100.52 166.11 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 pt20 -137.18 140.53 41.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.559 ' O ' HG22 ' A' ' 49' ' ' VAL . 21.4 m-85 -137.22 119.5 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.61 151.65 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.781 HD13 ' SG ' ' A' ' 40' ' ' CYS . 23.8 mt -127.77 122.77 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.44 175.88 8.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.64 118.83 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.38 155.34 7.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.433 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -81.96 105.67 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -93.12 106.47 19.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.729 0.776 . . . . 0.0 110.944 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -32.82 17.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -137.9 172.75 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 73' ' ' MET . 46.5 mt -70.23 -45.24 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -37.8 -53.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.08 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' LEU . 28.8 mtp -75.29 -29.61 60.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.82 -34.4 5.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 23.1 m -52.64 154.21 4.92 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.77 20.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 111.67 2.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.29 43.01 5.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.55 139.03 30.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -118.96 108.38 14.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.76 140.37 47.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.435 ' C ' HG12 ' A' ' 31' ' ' ILE . 26.0 mttt -117.48 -34.94 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -133.85 148.8 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.62 HD12 ' HB ' ' A' ' 28' ' ' THR . 6.3 mt -124.51 155.47 38.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.597 ' HA ' HG23 ' A' ' 27' ' ' THR . 40.0 ttt180 -142.32 106.06 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 t80 -74.03 111.85 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.569 HD11 HG22 ' A' ' 48' ' ' VAL . 4.2 mt -90.35 103.61 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.0 p -60.21 101.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.476 ' N ' ' HD2' ' A' ' 90' ' ' PRO . . . -77.01 -59.7 3.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 89' ' ' GLY . 53.6 Cg_endo -69.74 11.6 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 89' ' ' GLY . 87.0 p -52.8 129.7 30.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.9 t -82.65 -53.5 5.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.468 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 t -138.25 113.45 9.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -83.63 -50.12 8.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.58 -104.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 p 52.14 38.93 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -113.43 -23.1 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 86' ' ' PHE . . . 88.3 130.34 3.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.464 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -157.7 133.22 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.762 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.1 tt -119.36 144.87 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.794 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 6.7 t60 -136.34 118.64 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.736 HD23 ' HE1' ' A' ' 24' ' ' PHE . 2.5 mm? -103.2 153.04 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.794 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 98.9 m-85 -131.95 112.58 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -42.28 -49.7 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 15.8 mt-10 -96.73 156.84 36.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 163.3 38.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 64.79 32.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.435 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 4.1 m-85 54.54 46.61 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 92.0 mm-40 -121.67 177.64 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.34 -161.05 48.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -52.89 155.63 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -136.58 140.0 42.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -146.91 120.07 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.1 p -110.26 151.52 27.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.736 ' HE1' HD23 ' A' ' 11' ' ' LEU . 34.0 m-85 -130.67 138.08 49.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -104.6 -32.22 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -118.42 169.16 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 85' ' ' ARG . 23.6 m -56.57 112.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.518 ' HB ' HD12 ' A' ' 84' ' ' LEU . 60.7 m -93.26 149.24 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 p -117.75 -25.99 6.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 143.4 50.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 32' ' ' ASP . 43.4 mm -107.4 154.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' ILE . 1.9 t0 -52.05 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.75 31.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.0 p 56.59 35.89 26.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -54.78 116.22 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -56.54 153.37 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 11' ' ' LEU . 50.6 m -134.99 127.61 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -126.89 153.87 45.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.712 ' SG ' HD13 ' A' ' 62' ' ' LEU . 20.1 p -144.2 171.95 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -142.44 110.42 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 98.7 t -100.21 135.88 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -157.92 109.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 35.96 4.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.485 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 124.35 163.8 11.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.439 ' CB ' HD12 ' A' ' 87' ' ' ILE . 49.1 m -80.93 164.99 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.762 ' CB ' HD12 ' A' ' 9' ' ' ILE . 34.0 m95 -142.5 130.34 21.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.002 HG22 HG12 ' A' ' 61' ' ' VAL . 25.9 t -101.97 128.8 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.732 HG12 HD23 ' A' ' 84' ' ' LEU . 13.2 m -115.24 118.41 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.419 ' HD1' ' HG ' ' A' ' 83' ' ' SER . 1.5 m-85 -100.8 138.2 38.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -14.25 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.3 163.02 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 56' ' ' THR . 8.0 mm-40 -76.56 151.31 36.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 m120 65.1 38.38 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 53.31 42.37 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' GLU . 82.6 p -102.25 174.92 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.93 -150.74 48.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -79.43 148.63 31.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 5.0 pp0? -121.17 142.24 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.81 115.2 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.002 HG12 HG22 ' A' ' 48' ' ' VAL . 16.7 m -82.29 163.95 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.712 HD13 ' SG ' ' A' ' 40' ' ' CYS . 25.2 mt -139.05 123.97 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.66 168.55 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.44 116.68 6.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.14 158.75 9.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 2.3 p-80 -85.81 111.73 20.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 97.4 m-85 -97.94 102.06 12.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 66' ' ' HIS . 54.0 Cg_endo -69.71 -31.57 20.48 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.41 174.0 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.448 HD22 ' HB2' ' A' ' 75' ' ' CYS . 19.2 mt -74.01 -49.08 26.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 74' ' ' GLY . 6.4 t -38.16 -61.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.2 -37.33 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' LEU . 30.4 mtp -75.02 -29.7 60.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 99.53 18.71 22.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.448 ' HB2' HD22 ' A' ' 70' ' ' LEU . 28.1 m -97.69 151.73 37.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.8 33.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.75 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.25 40.35 5.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.31 140.92 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -126.74 122.32 34.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 1.5 m-85 -81.47 139.51 35.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -117.99 -29.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.419 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 51.7 p -139.0 151.0 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.732 HD23 HG12 ' A' ' 49' ' ' VAL . 6.8 mt -126.61 155.38 42.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.583 ' HA ' HG23 ' A' ' 27' ' ' THR . 50.5 ttt180 -143.5 103.89 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 6.1 t80 -67.44 111.68 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.98 HD11 HG23 ' A' ' 48' ' ' VAL . 7.2 mt -91.03 102.08 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -62.84 108.16 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.11 -120.84 4.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.359 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.3 t -80.91 -54.74 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.9 m 59.74 42.23 17.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 p -41.92 -54.14 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.821 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -75.06 125.43 28.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.73 48.7 4.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -78.25 151.96 32.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -134.21 128.69 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . -177.55 144.67 6.75 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.415 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -157.92 135.5 10.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.532 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 20.3 tt -113.9 137.1 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -123.54 110.29 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.862 HD12 HG21 ' A' ' 37' ' ' THR . 2.6 mm? -98.16 150.83 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CG ' ' HA ' ' A' ' 17' ' ' PHE . 9.3 m-85 -134.21 114.24 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -43.77 -42.25 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -102.62 155.19 36.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 162.56 41.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 66.28 32.04 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.448 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.6 m-85 52.83 45.44 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -119.42 178.05 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.09 -158.01 38.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -58.01 134.5 56.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.9 p -126.13 136.83 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.92 121.0 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 p -109.28 145.34 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -127.12 121.92 32.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -86.73 -36.32 18.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.63 171.05 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 84' ' ' LEU . 84.0 m -59.64 133.26 55.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -115.05 148.63 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -112.33 -31.07 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -135.68 142.64 45.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 50.5 mm -96.36 145.74 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 102.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t0 57.21 32.04 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.2 p 46.05 35.57 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 1.4 p90 -56.24 116.98 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.477 ' HA ' HG23 ' A' ' 80' ' ' THR . 20.0 m -52.36 164.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.862 HG21 HD12 ' A' ' 11' ' ' LEU . 66.0 m -146.59 118.48 8.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -92.41 -37.61 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -123.86 158.13 32.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.507 ' HB2' HD13 ' A' ' 11' ' ' LEU . 14.0 p -146.04 172.0 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.03 113.2 7.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.72 136.27 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 t -156.06 110.52 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.482 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 89.79 70.97 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.81 162.77 32.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.525 ' CB ' HD12 ' A' ' 87' ' ' ILE . 59.4 m -80.45 163.62 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 34.3 m95 -140.19 122.53 15.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.86 ' CG2' HD11 ' A' ' 87' ' ' ILE . 6.5 t -94.33 127.03 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 60' ' ' TYR . 3.5 m -111.09 118.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.416 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -110.69 126.34 54.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.964 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.26 12.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.68 146.76 16.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 56' ' ' THR . 43.3 mt-10 -67.75 143.14 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m120 67.85 32.47 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 56.93 44.16 23.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 53' ' ' GLU . 43.4 p -106.84 163.95 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.29 -133.54 11.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -100.23 147.99 25.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.3 OUTLIER -120.35 142.33 49.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.49 ' O ' HG22 ' A' ' 49' ' ' VAL . 3.3 m-85 -136.96 108.35 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.622 HG12 HG22 ' A' ' 48' ' ' VAL . 5.5 m -71.03 168.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.497 HD13 ' SG ' ' A' ' 40' ' ' CYS . 32.1 mt -145.83 124.14 12.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.96 169.94 17.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.5 114.64 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.11 170.23 31.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.03 115.33 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.403 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 99.3 m-85 -98.75 101.96 13.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.632 0.73 . . . . 0.0 110.968 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -33.2 17.07 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.1 p -137.29 174.07 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 75' ' ' CYS . 16.2 mt -72.44 -43.69 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -40.42 -61.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -38.03 18.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.403 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 31.0 mtp -74.11 -28.54 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.39 -32.81 6.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.412 ' HB2' HD22 ' A' ' 70' ' ' LEU . 17.1 m -55.03 147.75 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.85 44.33 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 81.62 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.254 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.72 55.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.477 HG23 ' HA ' ' A' ' 36' ' ' SER . 92.5 m -112.7 113.84 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.44 142.98 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -117.89 -35.57 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.5 p -136.48 153.71 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 49' ' ' VAL . 6.7 mt -126.74 163.07 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -149.75 106.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 t80 -72.25 111.74 7.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.86 HD11 ' CG2' ' A' ' 48' ' ' VAL . 6.3 mt -90.23 102.2 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.19 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.7 t -57.91 103.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.83 140.99 7.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -179.69 3.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.5 t -139.31 140.1 37.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.9 t -137.09 104.22 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -64.94 -50.18 67.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -51.41 -42.76 61.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.83 124.49 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -121.02 120.72 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -62.62 166.18 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.52 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -95.3 151.09 19.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -164.02 154.19 14.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 47' ' ' TRP . 12.2 tt -128.44 154.47 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.7 t60 -139.7 109.98 6.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 37' ' ' THR . 2.5 mm? -98.65 152.6 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 86.5 m-85 -134.16 113.6 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -41.58 -49.58 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 44.4 mm-40 -96.41 157.61 35.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 166.04 28.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 60.76 31.96 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.9 m-85 55.4 45.54 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 81.5 mm-40 -115.86 178.2 4.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.25 -158.1 31.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.6 p -147.18 141.14 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -144.29 123.53 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.5 p -108.33 140.94 40.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' HG22 ' A' ' 9' ' ' ILE . 44.6 m-85 -128.61 134.48 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -106.56 -33.13 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -105.78 171.52 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.7 m -64.43 106.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 m -86.81 147.56 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -114.71 -30.82 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -132.76 142.51 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.21 147.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.07 102.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.78 32.0 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 p 46.18 33.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.2 p90 -52.34 118.04 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 34.5 m -52.04 158.51 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.735 HG21 HD12 ' A' ' 11' ' ' LEU . 98.2 m -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -100.7 -35.47 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 p -127.82 154.81 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.689 ' SG ' HD13 ' A' ' 62' ' ' LEU . 14.7 p -145.86 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' HIS . 6.8 ttm180 -141.91 108.58 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.06 142.53 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.77 116.0 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.91 62.03 1.63 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 161.54 24.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.8 m -79.1 164.74 24.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CB ' HD12 ' A' ' 9' ' ' ILE . 29.0 m95 -141.58 128.66 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.05 HG23 HD11 ' A' ' 87' ' ' ILE . 92.5 t -99.91 128.18 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' A' ' 84' ' ' LEU . 4.4 m -112.73 120.64 63.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -103.9 146.85 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -82.8 -18.11 41.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.08 161.11 13.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.17 152.95 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m120 66.58 33.75 6.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 54.2 41.55 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.1 p -101.95 168.13 9.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.05 -140.64 23.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -89.01 161.92 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.42 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 17.2 pt20 -132.15 144.21 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -136.99 105.28 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.973 HG12 HG22 ' A' ' 48' ' ' VAL . 3.3 m -72.84 151.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.689 HD13 ' SG ' ' A' ' 40' ' ' CYS . 29.0 mt -129.21 122.68 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.87 176.08 8.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.47 113.26 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.59 157.05 10.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.401 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 10.5 p-80 -81.02 111.52 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 73' ' ' MET . 97.4 m-85 -98.46 102.08 13.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.0 Cg_endo -69.77 -36.43 10.79 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.4 t -135.42 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 73' ' ' MET . 37.3 mt -70.11 -44.46 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -36.29 -61.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.85 -35.12 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.582 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 14.8 mtm -76.51 -30.31 57.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.6 -29.55 11.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 33.0 m -53.79 151.89 10.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.89 40.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 91.87 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.37 43.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.02 114.06 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.3 m -98.18 120.41 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 2.7 m-85 -83.26 138.36 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -117.94 -31.67 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.2 p -137.12 153.76 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.436 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.9 mt -129.95 156.28 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -142.43 104.79 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.52 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 4.4 t80 -67.29 110.67 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.05 HD11 HG23 ' A' ' 48' ' ' VAL . 4.8 mt -89.32 103.78 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.2 p -58.44 102.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.38 138.56 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 5.22 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -61.49 -57.1 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.4 m -149.56 150.45 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 t -41.84 -54.82 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -124.88 164.72 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.79 123.4 5.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p -107.06 154.04 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.482 ' O ' ' CE2' ' A' ' 86' ' ' PHE . 65.3 p -109.81 17.98 20.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.458 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 93.08 129.88 5.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -151.46 173.43 14.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.591 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.0 tt -150.67 135.45 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 t60 -122.93 117.7 26.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.818 HD12 HG21 ' A' ' 37' ' ' THR . 1.5 mm? -102.2 155.51 18.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 21' ' ' SER . 69.8 m-85 -134.24 113.86 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -43.7 -45.63 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 36.3 mt-10 -100.58 156.07 35.63 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 165.4 31.13 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 62.51 32.39 16.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 54.11 46.8 24.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 91.0 mt-30 -118.09 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.63 -161.06 23.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -60.25 149.3 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.488 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 78.1 p -147.5 144.73 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -132.93 156.12 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.421 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 11.1 p -130.15 138.4 50.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -131.41 133.19 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.19 -33.02 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -105.11 162.54 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.56 HG23 ' HA ' ' A' ' 85' ' ' ARG . 58.0 m -59.93 106.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 m -94.03 151.24 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.465 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -117.96 -21.46 8.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 22.2 mp0 -129.19 148.05 51.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.0 mm -113.61 145.98 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.29 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 55.82 31.98 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 43.96 38.3 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -57.14 118.69 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.558 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 28.4 p -52.05 163.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.818 HG21 HD12 ' A' ' 11' ' ' LEU . 33.7 m -145.67 110.14 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -85.82 -33.51 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 p -129.36 150.83 50.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.536 ' HB2' HD13 ' A' ' 11' ' ' LEU . 20.2 p -142.62 169.02 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -141.7 105.98 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.88 149.33 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -158.03 105.71 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 87.37 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.44 162.03 30.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -77.7 164.61 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CB ' HD12 ' A' ' 9' ' ' ILE . 25.9 m95 -140.32 134.17 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 61' ' ' VAL . 17.8 t -100.79 137.65 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 60' ' ' TYR . 9.2 m -125.01 114.27 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 9.7 m-85 -100.15 150.34 22.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.98 17.91 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.63 143.15 13.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.78 144.62 56.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 m120 68.04 34.48 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 83' ' ' SER . 6.4 m-85 56.74 47.96 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.8 p -107.92 155.79 19.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.58 -132.79 11.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -98.75 169.23 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.58 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 7.9 pt20 -138.94 140.61 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.615 ' O ' HG22 ' A' ' 49' ' ' VAL . 8.4 m-85 -137.06 111.97 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.721 HG12 HG22 ' A' ' 48' ' ' VAL . 16.0 m -73.23 166.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD13 ' SG ' ' A' ' 40' ' ' CYS . 8.4 mt -144.9 125.55 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -76.15 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.22 115.68 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 170.71 -162.18 35.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -119.38 118.55 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 96.4 m-85 -108.97 101.94 46.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.682 0.753 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.77 -29.33 23.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.2 m -138.56 170.97 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' HB2' ' A' ' 75' ' ' CYS . 46.5 mt -70.93 -47.46 58.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.2 t -37.37 -62.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.26 -37.25 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.7 mtp -76.04 -26.95 57.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.74 -32.34 7.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.43 ' HB2' HD22 ' A' ' 70' ' ' LEU . 89.9 m -53.65 150.45 13.29 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.847 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 163.15 39.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 93.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.14 48.83 0.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.88 138.7 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.0 m -121.16 107.84 13.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.458 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 3.6 m-85 -69.26 137.38 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -118.01 -28.67 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.492 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 51.1 p -141.28 145.05 35.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.0 mt -119.62 157.3 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HA ' HG23 ' A' ' 27' ' ' THR . 36.5 ttt180 -143.35 108.12 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.3 t80 -77.49 106.08 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.635 HD11 ' CG2' ' A' ' 48' ' ' VAL . 6.2 mt -83.71 102.7 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.2 p -60.76 105.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -91.83 -113.98 1.96 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.1 p -146.69 170.73 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.0 p -59.27 147.68 34.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -89.21 -56.96 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -82.9 142.93 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.95 112.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -92.23 141.57 28.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -49.93 -23.86 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.532 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -145.56 162.24 28.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -157.52 132.2 8.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.56 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.1 tt -117.7 137.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.0 t60 -126.93 108.78 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -93.65 155.21 17.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 77.2 m-85 -133.87 117.77 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -46.56 -45.35 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.43 156.42 35.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.4 Cg_endo -69.81 165.85 29.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 62.48 33.82 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 52.54 41.57 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -115.41 178.93 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.14 -160.66 26.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -56.88 149.15 19.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.3 p -143.25 141.27 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -137.03 139.17 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.434 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 19.6 p -117.37 142.48 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.536 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 78.5 m-85 -127.97 109.18 11.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.71 -34.24 58.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -115.73 171.11 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.598 HG23 ' HA ' ' A' ' 85' ' ' ARG . 38.2 m -58.25 133.45 55.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 m -108.29 151.02 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -113.13 -32.58 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -141.59 126.14 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 42.3 mm -77.15 145.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.02 102.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.18 31.96 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 45.26 39.79 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -55.72 117.17 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 p -52.21 158.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.828 HG21 HD12 ' A' ' 11' ' ' LEU . 58.5 m -147.31 121.48 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 11.3 mttm -96.45 -32.03 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 p -125.25 155.27 40.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 p -143.01 172.01 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -145.42 113.39 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -101.38 140.46 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -157.69 108.92 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 91.48 58.31 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.45 163.89 21.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.671 ' CB ' HD12 ' A' ' 87' ' ' ILE . 58.3 m -84.33 165.56 18.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 32.6 m95 -140.6 134.93 31.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 87' ' ' ILE . 3.3 t -99.22 137.52 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 60' ' ' TYR . 4.9 m -125.26 113.75 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.469 ' HD1' ' HG ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -100.63 142.59 31.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.14 -13.43 59.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -111.03 163.58 12.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 56' ' ' THR . 15.1 mt-10 -79.49 153.69 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 m120 62.82 36.26 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 56.53 47.39 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 53' ' ' GLU . 81.0 p -107.57 159.44 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.79 -152.47 31.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -77.61 153.18 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 7.6 pt20 -125.45 136.89 53.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.627 ' O ' HG22 ' A' ' 49' ' ' VAL . 12.3 m-85 -129.76 114.1 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 48' ' ' VAL . 11.2 m -78.13 165.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.4 mt -138.63 123.25 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -81.73 163.22 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.33 111.47 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.81 156.12 10.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.34 110.8 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 103.12 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 110.92 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.26 17.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 56.3 m -139.26 177.64 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 75' ' ' CYS . 14.1 mt -72.18 -47.92 47.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.4 t -37.53 -59.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.7 -37.81 52.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.8 mtp -74.5 -29.78 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.88 -33.74 5.73 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.563 ' HB2' HD22 ' A' ' 70' ' ' LEU . 28.2 m -52.34 152.05 6.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 160.89 48.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 90.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.69 43.25 0.46 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.79 148.83 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.5 m -130.36 108.11 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.402 ' O ' HG13 ' A' ' 31' ' ' ILE . 1.4 m-85 -71.44 136.59 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.435 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 37.2 mttt -114.96 -30.21 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.469 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 24.8 p -135.95 153.78 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.536 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 12.0 mt -128.73 156.47 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.598 ' HA ' HG23 ' A' ' 27' ' ' THR . 62.5 ttt-85 -145.88 102.6 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.581 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.8 t80 -66.62 110.47 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.671 HD12 ' CB ' ' A' ' 46' ' ' SER . 5.3 mt -85.33 102.06 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.3 p -62.97 104.85 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.92 -113.96 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 100.26 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -105.23 176.33 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.7 t -77.03 123.98 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 52.48 41.5 30.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -70.49 -49.83 44.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.6 41.9 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -86.13 122.31 29.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m -65.92 138.49 57.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -99.71 157.16 19.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -157.99 125.48 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.536 HD12 ' CB ' ' A' ' 47' ' ' TRP . 14.1 tt -102.87 149.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.508 ' ND1' ' CZ ' ' A' ' 12' ' ' PHE . 17.2 t-80 -135.95 106.05 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -100.87 143.21 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.508 ' CZ ' ' ND1' ' A' ' 10' ' ' HIS . 33.0 m-85 -124.57 115.64 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -39.54 -48.64 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 5.5 mm-40 -97.02 155.29 37.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 63.65 33.28 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 53.34 44.81 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 66.7 mt-30 -118.49 177.8 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.03 -158.83 29.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -54.06 153.19 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 p -145.43 140.26 27.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -142.71 131.84 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 p -113.96 143.81 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 62.7 m-85 -126.86 130.5 50.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.98 -32.2 10.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 170.13 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -58.75 124.02 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -103.61 145.13 30.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 p -112.08 -26.49 8.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -141.86 124.76 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.44 HG12 ' C ' ' A' ' 82' ' ' LYS . 46.2 mm -83.11 150.58 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -52.02 103.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t70 53.2 32.01 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 44.85 35.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -52.05 121.89 7.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.7 m -51.99 147.42 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.799 HG21 HD12 ' A' ' 11' ' ' LEU . 85.7 m -126.04 111.33 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -93.94 -36.34 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.8 p -125.93 151.37 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.626 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 31.6 p -142.87 168.78 18.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -145.55 102.03 3.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.3 137.58 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.34 104.12 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.493 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 95.15 67.21 1.0 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.95 167.02 28.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.506 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 m -85.17 163.05 18.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 27.2 m95 -140.0 125.94 19.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.098 HG23 HD11 ' A' ' 87' ' ' ILE . 58.8 t -98.47 122.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.46 ' HB ' ' CG ' ' A' ' 81' ' ' PHE . 4.2 m -105.57 121.63 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -109.82 126.53 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.53 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.9 t70 -80.25 14.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.43 125.31 4.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 11.9 mt-10 -51.99 147.41 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 29.0 m-80 64.73 35.83 8.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 83' ' ' SER . 17.3 m-85 52.94 43.32 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -105.32 162.17 13.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.23 -136.32 14.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -95.97 170.18 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.486 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 15.6 pt20 -138.97 135.45 34.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -130.77 116.27 17.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.044 HG12 HG22 ' A' ' 48' ' ' VAL . 10.5 m -78.7 167.67 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -146.59 123.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -81.64 160.66 23.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.58 122.77 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.64 157.44 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -83.28 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.626 ' HD2' ' HG ' ' A' ' 40' ' ' CYS . 83.4 m-85 -106.15 102.02 37.61 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.689 0.757 . . . . 0.0 110.934 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -34.45 14.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.59 173.64 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 37' ' ' THR . 40.7 mt -73.8 -47.57 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -39.77 -54.26 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.63 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.498 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 24.2 mtp -75.31 -29.23 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.78 -35.6 4.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.3 m -52.47 155.44 3.7 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 160.69 48.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.38 49.43 0.52 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.5 155.78 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.0 m -134.47 110.6 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.46 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 5.2 m-85 -78.89 135.52 37.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -112.4 -28.66 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.542 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 52.3 p -137.15 155.1 49.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.0 mt -131.97 165.39 24.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -152.25 102.15 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 3.4 t80 -66.4 107.86 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.098 HD11 HG23 ' A' ' 48' ' ' VAL . 7.8 mt -84.28 102.02 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.2 p -60.92 102.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.15 121.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 173.24 11.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.7 m -79.8 124.63 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.4 m -95.87 144.4 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.447 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -66.3 -56.45 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 t -145.38 132.49 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.57 128.75 7.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -89.06 -46.19 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -114.12 163.8 14.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -97.55 149.56 19.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.457 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -151.46 149.53 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 24' ' ' PHE . 19.4 tt -126.41 143.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.594 ' ND1' ' CZ ' ' A' ' 12' ' ' PHE . 8.0 t-80 -129.16 110.45 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.854 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -101.66 146.3 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.594 ' CZ ' ' ND1' ' A' ' 10' ' ' HIS . 10.2 m-85 -134.13 112.59 11.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -38.71 -44.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 18.5 mt-10 -99.26 155.66 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' CG ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.81 166.75 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.15 32.19 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.7 m-85 54.57 47.02 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 23.9 mm100 -120.77 177.79 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.38 -157.89 46.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -52.21 136.36 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 p -120.23 137.11 54.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.57 119.77 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.458 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 20.0 p -116.74 141.4 48.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 9' ' ' ILE . 15.4 m-85 -125.18 139.87 53.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 -36.27 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -100.68 167.55 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.411 HG23 ' HA ' ' A' ' 85' ' ' ARG . 28.1 m -62.02 108.03 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -88.71 147.68 24.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -110.7 -32.97 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -132.93 145.9 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.402 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 43.7 mm -102.98 151.28 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.01 103.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 32.09 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 p 48.53 39.03 12.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.1 p90 -59.8 117.95 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.442 ' HA ' HG23 ' A' ' 80' ' ' THR . 27.8 p -51.93 157.4 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.854 HG21 HD12 ' A' ' 11' ' ' LEU . 74.9 m -126.58 116.14 20.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 1.7 mmpt? -85.97 -38.46 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 p -135.09 159.53 41.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.99 168.14 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -144.46 102.95 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 62' ' ' LEU . 88.3 t -96.06 138.79 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 t -157.87 104.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.436 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 101.92 53.34 0.97 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.46 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.03 175.2 19.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.47 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.504 ' C ' HD12 ' A' ' 87' ' ' ILE . 45.7 m -91.24 165.04 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 43.4 m95 -145.99 115.62 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG22 HG12 ' A' ' 61' ' ' VAL . 90.3 t -90.64 131.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.482 HG12 ' CD2' ' A' ' 84' ' ' LEU . 7.0 m -115.93 121.47 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -102.31 130.59 49.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.38 -15.3 63.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.17 159.63 13.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -76.89 156.22 32.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m120 66.26 32.12 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 51.87 48.04 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -111.67 170.5 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.76 -144.47 28.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -79.65 155.96 27.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.43 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -130.3 137.58 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -134.0 115.38 14.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.037 HG12 HG22 ' A' ' 48' ' ' VAL . 3.0 m -83.8 146.96 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HB2' HG21 ' A' ' 42' ' ' VAL . 6.8 mt -119.89 122.95 42.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.01 175.6 9.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -74.74 114.59 13.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.54 142.08 3.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -70.13 111.31 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 93.7 m-85 -96.65 103.92 16.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.736 0.779 . . . . 0.0 110.891 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.75 -34.31 14.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.742 2.294 . . . . 0.0 112.325 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.8 t -134.42 170.49 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 36.1 mt -73.5 -46.71 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.7 m -38.46 -53.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' LEU . 26.9 mtp -74.9 -30.18 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.45 -33.87 5.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.408 ' HB2' HD22 ' A' ' 70' ' ' LEU . 16.4 m -52.15 144.07 22.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.41 57.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 94.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.85 43.16 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.1 130.27 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.442 HG23 ' HA ' ' A' ' 36' ' ' SER . 85.1 m -113.55 113.9 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -72.72 137.97 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -117.73 -33.23 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 p -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.482 ' CD2' HG12 ' A' ' 49' ' ' VAL . 4.1 mt -122.72 156.19 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.411 ' HA ' HG23 ' A' ' 27' ' ' THR . 33.4 ttp180 -141.78 112.7 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.58 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 12.4 t80 -81.22 105.33 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.912 HD11 HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -94.32 103.51 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.6 p -57.04 105.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -86.18 -71.37 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 0.02 6.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.284 . . . . 0.0 112.367 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.1 m -122.88 132.91 54.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -77.13 106.32 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -68.73 -47.12 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -99.58 124.52 44.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.1 88.38 0.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 m -77.89 -60.45 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -84.33 105.97 15.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . -49.55 164.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -142.28 125.21 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.715 0.293 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.7 tt -111.89 137.47 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.503 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 2.3 t60 -124.49 109.66 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.905 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -93.43 154.53 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -133.0 119.37 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -50.28 -49.86 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.96 157.63 34.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.84 33.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 62.59 32.22 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 52.36 42.0 30.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.74 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.06 -142.95 46.91 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -75.3 155.74 36.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -146.67 138.97 24.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -139.29 120.78 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.503 ' HB3' ' CG ' ' A' ' 10' ' ' HIS . 28.1 p -110.67 143.88 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CD1' HD11 ' A' ' 84' ' ' LEU . 54.2 m-85 -123.97 103.74 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.89 -39.0 90.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 27' ' ' THR . 2.9 pp20? -110.39 177.82 4.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' CD ' ' A' ' 26' ' ' GLU . 96.9 m -58.58 146.0 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.3 m -123.27 146.8 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -110.62 -32.17 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -143.22 135.12 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 35.0 mm -88.56 147.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.04 102.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 54.13 32.07 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 p 45.85 37.41 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -52.4 115.43 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -52.19 149.29 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.905 HG21 HD12 ' A' ' 11' ' ' LEU . 26.9 m -133.95 112.09 10.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -85.14 -28.42 25.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 p -135.9 150.97 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' CB ' HD13 ' A' ' 11' ' ' LEU . 18.0 p -138.93 172.48 12.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -143.91 105.91 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 95.7 t -94.4 127.12 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.6 t -149.11 103.74 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.487 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 115.54 33.56 1.57 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.493 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.3 178.7 16.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.482 ' HB2' HD12 ' A' ' 87' ' ' ILE . 19.8 m -86.68 162.69 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.48 ' CB ' HD12 ' A' ' 9' ' ' ILE . 41.8 m95 -145.31 126.66 14.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.081 HG22 HG12 ' A' ' 61' ' ' VAL . 55.4 t -97.98 122.49 49.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.645 HG12 ' CD2' ' A' ' 84' ' ' LEU . 11.3 m -109.33 125.93 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 5.3 m-85 -104.45 142.45 34.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.28 17.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.46 141.18 10.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -58.97 146.52 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 m120 66.98 36.01 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 54.24 39.15 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -101.6 160.63 14.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.96 -128.72 9.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -99.5 175.59 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.458 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 6.7 pt20 -143.88 137.63 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -135.96 110.26 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.081 HG12 HG22 ' A' ' 48' ' ' VAL . 4.8 m -76.43 162.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -143.21 125.43 15.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.99 166.35 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.04 114.72 2.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.37 156.52 10.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.67 112.77 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.408 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 92.3 m-85 -100.6 102.04 17.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.693 0.759 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.1 Cg_endo -69.74 -26.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.7 p -140.62 177.18 8.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' MET . 30.8 mt -77.34 -52.43 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' GLY . 22.8 t -35.03 -64.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.32 -37.2 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 32.1 mtp -74.4 -29.39 61.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.52 -34.0 5.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.5 m -52.0 158.06 1.9 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.725 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.68 170.11 17.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.6 48.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -97.89 134.12 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -123.51 109.65 14.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.99 134.86 53.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -117.99 -32.32 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.9 p -140.47 150.83 44.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.645 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.5 mt -121.44 165.28 15.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 ttt-85 -156.27 107.31 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -71.37 105.49 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.482 HD12 ' HB2' ' A' ' 46' ' ' SER . 5.3 mt -66.76 -69.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.9 p -168.67 162.35 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.485 ' HA2' ' CA ' ' A' ' 45' ' ' GLY . . . -116.64 -168.72 15.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.89 3.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 2.286 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.0 p -94.49 113.83 25.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -52.98 -49.04 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -63.97 -43.74 94.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.374 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 t -156.99 157.63 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.28 -151.09 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -63.83 155.94 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -145.18 157.58 44.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.51 163.97 30.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -144.51 138.77 27.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 tt -128.34 147.16 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.425 ' CD2' ' HB3' ' A' ' 23' ' ' SER . 18.4 t-80 -126.22 108.16 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 37' ' ' THR . 2.9 mm? -97.93 148.2 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' A' ' 10' ' ' HIS . 2.6 m-85 -134.14 126.09 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.7 t -54.57 -42.53 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 49.5 mm-40 -101.68 156.22 35.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.74 165.73 29.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 62.6 33.61 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 52.45 43.85 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.424 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 75.4 mt-30 -118.16 178.95 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.31 -153.01 46.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -53.41 151.41 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.5 p -139.18 135.02 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 13.5 mt-30 -143.45 119.15 10.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.425 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 22.2 p -110.84 140.5 45.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.416 ' CD2' HD11 ' A' ' 84' ' ' LEU . 87.5 m-85 -122.83 122.15 37.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -88.02 -34.2 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -116.41 173.82 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.653 HG23 ' HA ' ' A' ' 85' ' ' ARG . 34.3 m -56.74 135.26 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.7 m -116.19 146.44 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t -117.98 -20.83 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -137.56 148.12 45.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 mm -112.71 148.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.46 102.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.45 31.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p 55.2 38.47 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -53.88 116.53 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 24.2 p -54.4 162.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.783 HG21 HD12 ' A' ' 11' ' ' LEU . 96.3 m -146.79 122.32 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -97.62 -28.33 13.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.2 p -130.18 154.4 47.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 20.6 p -145.63 162.38 37.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -141.83 101.98 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 48.1 t -84.29 141.67 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.96 106.32 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.52 31.57 2.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.06 -170.59 13.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -92.08 162.32 14.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -142.44 124.86 15.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.758 HG22 HG12 ' A' ' 61' ' ' VAL . 21.2 t -96.02 124.36 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 60' ' ' TYR . 9.7 m -109.07 127.09 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -110.23 128.68 55.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.18 59.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.56 150.98 17.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' CG ' ' HD3' ' A' ' 82' ' ' LYS . 39.1 mt-10 -71.2 154.08 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 3.0 m120 67.38 34.0 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.5 OUTLIER 55.16 44.22 28.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.0 p -108.74 176.79 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.0 -148.34 44.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -76.5 175.59 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 18.9 pt20 -146.98 137.72 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.566 ' O ' HG22 ' A' ' 49' ' ' VAL . 2.8 m-85 -134.46 111.07 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.758 HG12 HG22 ' A' ' 48' ' ' VAL . 4.1 m -75.79 161.73 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -140.55 123.21 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.44 158.34 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.04 113.72 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.79 -175.18 46.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -108.46 111.74 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.8 m-85 -100.73 102.08 18.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.701 0.762 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.82 -33.33 16.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -138.0 171.88 13.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.67 -45.98 60.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 t -41.27 -53.8 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.8 -36.33 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.526 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 27.1 mtp -76.11 -25.86 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -32.88 6.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.0 m -52.06 146.78 14.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.61 18.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.19 2.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.84 54.13 0.67 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.27 129.8 56.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.0 m -126.96 107.19 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.24 133.34 55.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 64.6 mttt -117.62 -24.87 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -149.26 150.18 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.0 mt -121.96 161.48 22.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.653 ' HA ' HG23 ' A' ' 27' ' ' THR . 49.3 ttt180 -156.87 109.88 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 88' ' ' SER . 23.0 t80 -69.02 127.13 32.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.85 -68.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 86' ' ' PHE . 28.5 t -169.12 166.91 10.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.48 ' HA2' ' CA ' ' A' ' 45' ' ' GLY . . . -92.77 -172.22 40.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.22 8.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 p -104.99 146.99 28.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.4 m -124.52 122.64 38.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 55.14 42.16 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -129.51 170.28 13.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.62 -42.21 55.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -73.98 -52.08 13.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 110.918 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m -67.76 148.3 51.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -90.61 139.95 15.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 4.2 tm0? -154.62 132.3 11.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.508 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.8 tt -114.23 136.97 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.7 t60 -125.91 113.14 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.749 HD12 HG21 ' A' ' 37' ' ' THR . 2.6 mm? -96.97 151.01 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.63 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 31.1 m-85 -134.39 118.41 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -50.73 -44.51 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 14.9 mm-40 -97.55 155.45 37.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.58 41.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 63.2 33.46 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 52.43 44.98 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.428 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 77.0 mt-30 -114.0 179.07 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -154.27 35.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -65.4 139.11 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.3 p -135.19 148.08 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -137.69 158.11 45.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 p -136.3 139.52 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -127.41 103.72 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.17 -35.03 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -115.44 172.17 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 85' ' ' ARG . 86.5 m -56.49 145.3 28.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.564 ' HB ' HD12 ' A' ' 84' ' ' LEU . 53.3 m -126.56 147.92 49.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 p -111.13 -31.57 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -133.35 139.67 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.7 mm -95.71 146.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -52.0 105.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 2.0 p30 51.99 32.01 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 45.78 37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.99 118.25 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.461 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 18.6 t -55.66 168.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.749 HG21 HD12 ' A' ' 11' ' ' LEU . 8.7 m -151.18 112.94 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -82.91 -26.27 31.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 37' ' ' THR . 15.9 p -139.46 149.46 44.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.491 ' CB ' HD13 ' A' ' 11' ' ' LEU . 15.7 p -135.26 173.15 12.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' HIS . 10.6 ttm180 -146.77 107.1 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -97.19 146.46 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -155.01 110.63 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.62 65.69 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.56 161.38 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.543 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.469 ' CB ' HD12 ' A' ' 87' ' ' ILE . 49.2 m -80.44 166.12 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 28.3 m95 -140.64 138.82 34.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.629 HG22 HD11 ' A' ' 87' ' ' ILE . 2.8 t -101.11 128.02 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 60' ' ' TYR . 8.5 m -115.76 117.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -100.04 158.54 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.9 -11.52 24.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.36 169.28 12.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 56' ' ' THR . 2.8 mp0 -81.47 150.25 28.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 60.59 38.58 18.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 54.6 43.45 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 53' ' ' GLU . 82.4 p -101.32 159.53 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.79 -131.85 10.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -96.0 176.3 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -149.57 144.17 26.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' O ' HG22 ' A' ' 49' ' ' VAL . 7.1 m-85 -137.07 114.64 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.452 HG12 HG22 ' A' ' 48' ' ' VAL . 7.5 m -77.72 163.94 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -140.82 126.7 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.29 161.82 27.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.21 122.27 15.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.35 -157.42 29.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.4 ' O ' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -128.01 112.82 15.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 94.9 m-85 -98.47 102.01 13.26 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.701 0.762 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.0 Cg_endo -69.74 -24.12 30.12 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -143.88 172.88 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.71 -49.34 26.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLY . 38.6 t -39.17 -61.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.31 -36.49 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 30.9 mtp -75.37 -26.41 58.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 109.85 -32.66 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.39 144.38 23.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.49 30.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.272 . . . . 0.0 112.312 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 87.09 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.396 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.04 44.63 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.51 125.67 53.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -109.7 139.77 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -96.11 134.98 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -115.56 -30.78 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.5 p -136.56 152.65 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.564 HD12 ' HB ' ' A' ' 28' ' ' THR . 8.0 mt -125.96 161.22 28.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 27' ' ' THR . 48.4 ttt-85 -150.82 104.11 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.556 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.1 t80 -63.94 111.18 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.629 HD11 HG22 ' A' ' 48' ' ' VAL . 3.8 mt -88.22 102.06 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.2 t -66.75 105.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -97.45 -121.23 4.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.33 50.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 p -141.34 170.35 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.4 p -124.5 146.72 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -79.6 -60.75 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -152.32 161.74 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 91' ' ' SER . . . -137.19 51.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p 51.9 35.99 17.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' GLY . 6.5 t 55.14 44.79 27.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -34.25 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -162.52 155.75 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.489 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.2 tt -129.41 148.63 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -129.24 107.36 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.023 HD12 HG21 ' A' ' 37' ' ' THR . 3.7 mm? -95.76 152.8 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -134.02 117.73 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.4 p -47.71 -49.02 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -96.33 155.75 37.67 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 162.94 40.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 65.49 32.32 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 54.07 44.85 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 78.1 mm-40 -118.5 178.07 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.96 -161.13 29.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -52.24 154.63 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.9 p -147.16 137.43 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -136.98 137.87 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 p -120.95 142.36 49.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -129.18 136.87 50.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -105.68 -32.07 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -105.52 163.09 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.526 HG23 ' HA ' ' A' ' 85' ' ' ARG . 69.9 m -60.32 103.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.737 ' HB ' HD12 ' A' ' 84' ' ' LEU . 53.0 m -86.26 151.05 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 3.9 t -117.96 -26.08 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -133.86 133.97 42.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.514 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 41.6 mm -90.1 144.89 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -50.86 102.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 22.7 t70 57.26 32.06 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.96 37.63 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -56.24 117.67 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.545 ' HA ' HG23 ' A' ' 80' ' ' THR . 47.0 p -52.4 160.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.023 HG21 HD12 ' A' ' 11' ' ' LEU . 54.1 m -145.03 116.38 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -90.24 -34.53 15.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 p -127.55 158.14 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 p -146.9 165.54 29.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -139.88 108.7 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -90.11 128.19 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -140.41 102.81 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 74.89 1.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.42 159.72 35.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.507 ' C ' HD12 ' A' ' 87' ' ' ILE . 70.6 m -77.79 164.32 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.491 ' N ' HD12 ' A' ' 87' ' ' ILE . 28.0 m95 -139.35 136.33 34.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.077 HG23 HD11 ' A' ' 87' ' ' ILE . 54.8 t -104.38 133.36 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 84' ' ' LEU . 5.2 m -119.7 119.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.534 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 2.7 m-85 -103.05 130.93 50.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -17.48 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.9 160.87 15.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HG2' ' CD ' ' A' ' 82' ' ' LYS . 13.3 mm-40 -78.76 156.61 28.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 11.7 m-80 62.59 32.32 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.7 OUTLIER 56.62 45.76 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' GLU . 63.9 p -108.8 170.33 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.9 -137.0 20.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -88.84 169.63 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.534 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 23.0 pt20 -142.97 134.86 26.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.435 ' O ' HG22 ' A' ' 49' ' ' VAL . 8.2 m-85 -129.72 110.37 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.032 HG12 HG22 ' A' ' 48' ' ' VAL . 5.8 m -74.72 163.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -141.04 123.34 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -78.96 155.57 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 1.3 tm-20 -58.47 129.53 42.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.89 -158.03 28.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -121.57 122.72 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.408 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 88.0 m-85 -116.2 102.07 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.75 -35.76 12.1 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.57 170.1 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 75' ' ' CYS . 36.0 mt -66.7 -45.62 78.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.3 t -38.6 -53.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.3 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 27.9 mtp -74.14 -27.93 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.59 -32.26 7.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.489 ' HB2' HD22 ' A' ' 70' ' ' LEU . 98.0 m -53.91 145.79 31.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.55 41.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 84.07 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.47 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.29 121.84 46.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.545 HG23 ' HA ' ' A' ' 36' ' ' SER . 26.7 m -111.05 107.0 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 31' ' ' ILE . 2.1 m-85 -67.23 138.03 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.458 ' CD ' ' HG2' ' A' ' 53' ' ' GLU . 61.6 mttt -118.0 -30.31 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.428 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 60.9 p -134.87 149.24 50.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 49' ' ' VAL . 2.0 mt -124.12 160.8 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' A' ' 27' ' ' THR . 49.9 ttt85 -149.49 110.19 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.549 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 5.1 t80 -68.52 112.38 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.077 HD11 HG23 ' A' ' 48' ' ' VAL . 3.9 mt -93.59 105.49 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 m -64.21 102.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.74 -133.45 3.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -18.21 36.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.443 ' HB3' ' C ' ' A' ' 4' ' ' GLY . 66.6 m -52.0 112.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.9 p -151.15 118.15 5.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -68.03 153.38 43.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -79.42 127.96 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.78 68.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 p -95.52 -44.46 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.594 ' O ' ' CZ ' ' A' ' 86' ' ' PHE . 58.7 p -81.46 -22.66 37.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 73.95 140.53 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -157.91 134.95 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.515 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.1 tt -111.83 140.08 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -128.09 105.71 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.098 HD12 HG21 ' A' ' 37' ' ' THR . 3.6 mm? -90.86 155.09 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.27 117.21 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -43.84 -51.98 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 25.0 mt-10 -92.04 156.67 42.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 165.64 30.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.626 2.218 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 63.52 32.43 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 53.9 44.7 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 79.4 mt-30 -120.49 178.37 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.32 -158.28 46.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -57.59 149.36 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -135.02 146.43 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -146.39 129.96 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p -112.43 150.33 31.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.445 ' O ' ' CH2' ' A' ' 47' ' ' TRP . 88.9 m-85 -136.99 110.51 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.46 15.96 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -149.54 154.86 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.436 HG23 ' HA ' ' A' ' 85' ' ' ARG . 19.7 m -57.65 103.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.0 m -96.54 153.25 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -117.95 -22.96 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -134.41 141.63 46.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 34.6 mm -97.81 146.47 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -51.96 102.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 55.63 32.04 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 45.4 36.14 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.36 120.38 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.5 p -52.02 154.42 2.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.098 HG21 HD12 ' A' ' 11' ' ' LEU . 84.9 m -141.33 114.75 8.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.86 -33.19 13.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -124.97 166.76 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.5 p -151.52 171.7 17.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -143.59 117.43 9.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -106.49 139.78 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 t -157.72 103.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.483 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 94.26 65.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.32 170.59 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.67 ' HB2' HD12 ' A' ' 87' ' ' ILE . 53.3 m -89.61 165.15 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.526 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.1 m95 -143.04 116.67 9.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.8 HG22 HG12 ' A' ' 61' ' ' VAL . 21.4 t -87.97 135.02 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.674 HG12 HD23 ' A' ' 84' ' ' LEU . 5.6 m -120.74 120.38 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 1.2 m-85 -105.47 118.48 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -10.98 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.99 162.38 18.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 56' ' ' THR . 55.3 mt-10 -82.6 147.88 28.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.0 m120 61.71 39.63 14.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 58.7 47.88 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 53' ' ' GLU . 69.5 p -113.97 161.27 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.72 -150.61 26.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -75.41 165.48 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 10.6 pt20 -139.88 127.79 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.47 113.89 18.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.8 HG12 HG22 ' A' ' 48' ' ' VAL . 5.5 m -75.14 151.13 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -128.17 122.65 32.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.29 166.41 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.26 125.3 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.48 133.58 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.79 110.29 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 73.3 m-85 -94.27 105.77 19.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.669 0.747 . . . . 0.0 110.972 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.96 5.91 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 57.1 m -141.3 176.52 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.821 HD22 ' HB2' ' A' ' 75' ' ' CYS . 37.0 mt -67.97 -43.68 78.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.7 t -41.85 -57.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.2 66.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 29.7 mtp -74.18 -30.07 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.26 18.79 15.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.821 ' HB2' HD22 ' A' ' 70' ' ' LEU . 71.0 m -101.94 152.5 38.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' C ' ' H ' ' A' ' 78' ' ' GLY . 54.1 Cg_endo -69.76 161.87 44.27 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 18.11 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 76' ' ' PRO . . . -156.33 55.59 0.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -120.75 134.83 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 102.04 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.454 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 2.8 m-85 -59.04 134.24 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.487 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 82.7 mttt -117.99 -24.51 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.6 p -139.38 154.7 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.674 HD23 HG12 ' A' ' 49' ' ' VAL . 6.1 mt -128.09 161.68 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.436 ' HA ' HG23 ' A' ' 27' ' ' THR . 17.0 ttt180 -150.62 106.2 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 6' ' ' SER . 15.8 t80 -73.55 107.71 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.67 HD12 ' HB2' ' A' ' 46' ' ' SER . 6.7 mt -77.25 -41.53 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.513 ' O ' ' C ' ' A' ' 89' ' ' GLY . 5.7 t 66.43 47.96 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 88' ' ' SER . . . -29.07 -84.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.1 37.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.67 2.246 . . . . 0.0 112.311 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.5 p -155.53 170.17 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.5 m -127.02 125.77 41.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.499 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -156.17 125.33 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -71.36 -54.25 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.97 -153.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.9 p -69.96 124.21 23.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.789 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -82.17 102.08 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.95 171.21 3.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -144.46 138.16 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.336 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -128.81 149.75 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.493 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 t60 -130.93 116.08 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 37' ' ' THR . 3.0 mm? -102.34 151.4 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 46.3 m-85 -133.39 112.94 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 t -40.16 -45.24 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 11.4 mt-10 -100.39 158.9 31.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 54.0 Cg_endo -69.78 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 56.57 36.22 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.472 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 51.99 43.45 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 50.7 mt-30 -111.98 178.14 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.93 -155.4 26.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -60.82 156.06 18.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.4 p -147.02 144.49 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -141.99 125.23 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.408 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 37.2 p -106.34 143.53 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.445 ' CD2' HD11 ' A' ' 84' ' ' LEU . 81.1 m-85 -125.7 121.67 34.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -87.54 -35.79 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -113.24 172.63 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 85' ' ' ARG . 88.7 m -60.88 124.67 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.492 ' HB ' HD12 ' A' ' 84' ' ' LEU . 96.2 m -102.81 144.29 31.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.8 p -110.7 -26.35 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -139.42 132.63 29.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.404 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 23.7 mm -89.94 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.03 103.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 55.14 31.98 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 45.0 36.58 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -54.45 117.74 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.627 ' HA ' HG23 ' A' ' 80' ' ' THR . 23.3 p -52.07 164.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.031 HG21 HD12 ' A' ' 11' ' ' LEU . 53.8 m -151.53 116.95 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 10.3 mttm -91.39 -31.54 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -127.25 155.39 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.686 ' SG ' HD13 ' A' ' 62' ' ' LEU . 21.2 p -146.96 164.92 31.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -135.36 102.56 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 62.0 t -86.54 130.23 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 t -156.15 108.97 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.26 -17.98 9.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.491 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 163.14 -170.94 38.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.523 ' HB2' ' CG1' ' A' ' 87' ' ' ILE . 36.5 m -87.73 158.1 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -144.18 120.14 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.093 HG22 HG12 ' A' ' 61' ' ' VAL . 2.5 t -88.28 112.79 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 81' ' ' PHE . 3.7 m -96.92 110.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 2.4 m-85 -98.85 134.16 42.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.96 -17.18 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.96 164.16 12.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -78.64 153.36 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 m120 65.43 37.3 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HA ' ' CG ' ' A' ' 50' ' ' TYR . 3.3 m-85 52.45 42.87 31.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -99.7 174.98 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.12 -146.78 49.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -71.36 166.17 22.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 14.9 pt20 -143.14 129.97 20.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.444 ' O ' HG22 ' A' ' 49' ' ' VAL . 5.2 m-85 -136.42 116.35 13.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.093 HG12 HG22 ' A' ' 48' ' ' VAL . 5.3 m -87.8 145.19 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.686 HD13 ' SG ' ' A' ' 40' ' ' CYS . 13.5 mt -120.42 122.52 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -82.59 168.15 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.96 114.73 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.78 141.05 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.07 118.57 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 98.5 m-85 -108.31 101.97 44.62 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.703 0.763 . . . . 0.0 110.908 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.71 -29.74 23.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.325 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.0 p -133.56 176.97 8.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.85 -47.67 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -41.66 -59.5 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.0 -34.84 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 33.7 mtp -75.48 -27.02 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.87 20.02 22.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.37 154.85 37.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.82 48.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.21 41.05 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.59 108.93 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 36' ' ' SER . 85.4 m -97.7 104.16 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.54 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 3.6 m-85 -62.64 136.83 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -117.83 -24.94 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 p -145.27 151.34 38.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD12 ' HB ' ' A' ' 28' ' ' THR . 3.4 mt -124.87 159.55 30.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' HA ' HG23 ' A' ' 27' ' ' THR . 31.3 ttt180 -150.14 120.23 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -80.45 129.59 34.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.93 HD11 HG23 ' A' ' 48' ' ' VAL . 1.4 mm -93.95 -70.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -169.03 161.34 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.61 166.95 45.93 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.49 24.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.739 2.292 . . . . 0.0 112.302 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 p -93.65 -39.77 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.4 t -48.7 -44.2 37.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.441 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -126.55 173.84 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 p -132.28 108.21 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.34 -101.95 0.36 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m 57.28 45.1 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -82.92 16.7 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.74 150.7 0.23 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -153.43 151.6 30.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.56 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.9 tt -146.43 130.75 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.444 ' CD2' ' CE1' ' A' ' 12' ' ' PHE . 3.5 t60 -122.73 105.2 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.82 HD12 HG21 ' A' ' 37' ' ' THR . 3.2 mm? -86.59 158.09 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 10' ' ' HIS . 58.2 m-85 -134.29 127.01 30.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -57.09 -45.58 83.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.444 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 32.1 mt-10 -100.46 157.99 32.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 161.9 44.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 64.25 31.99 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 55.14 46.31 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 41.5 mm-40 -117.04 177.62 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.26 -162.51 28.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -59.59 156.05 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.452 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 2.8 m -136.77 159.42 41.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 7.3 mp0 -149.75 119.44 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.422 ' HB2' ' ND1' ' A' ' 10' ' ' HIS . 38.7 t -103.68 151.32 23.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 88.7 m-85 -142.09 104.71 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.86 7.24 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -149.04 173.13 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 84' ' ' LEU . 33.5 m -71.79 112.32 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.725 ' CG2' HD12 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -98.7 158.37 15.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -118.03 -19.51 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -140.51 144.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.403 HG12 ' C ' ' A' ' 82' ' ' LYS . 41.3 mm -100.77 145.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.99 102.35 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 57.09 32.78 22.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 44.67 32.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 22' ' ' GLN . 1.2 p90 -52.06 119.66 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 8.4 t -52.02 161.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.82 HG21 HD12 ' A' ' 11' ' ' LEU . 87.3 m -143.47 116.84 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -95.87 -35.74 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -128.07 155.89 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.556 ' HB2' HD13 ' A' ' 11' ' ' LEU . 20.2 p -145.42 168.24 20.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -136.68 105.03 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 47.4 t -89.96 136.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -157.77 105.91 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 37.92 2.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.501 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 117.49 -173.62 14.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.2 m -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CB ' HD12 ' A' ' 9' ' ' ILE . 36.5 m95 -139.9 134.61 31.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.949 HG22 HG12 ' A' ' 61' ' ' VAL . 40.4 t -106.41 128.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.707 HG12 HD23 ' A' ' 84' ' ' LEU . 6.3 m -114.51 124.4 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 25.2 m-85 -105.3 136.02 45.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.19 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.86 164.07 13.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 56' ' ' THR . 5.1 mm-40 -81.99 149.38 28.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 9.0 m120 61.69 40.46 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 59.34 46.84 12.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 53' ' ' GLU . 79.3 p -114.52 159.91 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.69 -151.95 25.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.422 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -73.35 175.85 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 21.3 pt20 -146.6 139.74 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.492 ' O ' HG22 ' A' ' 49' ' ' VAL . 13.9 m-85 -135.3 106.39 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.949 HG12 HG22 ' A' ' 48' ' ' VAL . 4.7 m -73.12 161.67 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.451 HD13 ' SG ' ' A' ' 40' ' ' CYS . 10.7 mt -143.03 124.82 15.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -81.6 167.94 18.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.52 116.94 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.94 165.62 23.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -93.5 110.4 21.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.9 m-85 -97.43 104.35 19.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.677 0.751 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -34.85 13.64 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.655 2.236 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -135.54 170.93 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' MET . 20.2 mt -70.35 -46.52 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -38.39 -57.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.1 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 24.8 mtp -81.98 14.37 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.83 18.96 34.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 98.3 m -103.96 150.66 38.49 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 3.72 2.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.91 61.01 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.32 118.99 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.01 104.06 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.62 137.51 58.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' C ' HG12 ' A' ' 31' ' ' ILE . 32.1 mttt -117.56 -26.36 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.6 p -142.8 162.17 36.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.725 HD12 ' CG2' ' A' ' 28' ' ' THR . 2.5 mt -130.06 160.57 33.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -157.12 108.23 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -70.01 103.65 2.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 48' ' ' VAL . 2.2 mt -61.32 -69.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.8 p -169.09 170.91 8.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.501 ' HA2' ' CA ' ' A' ' 45' ' ' GLY . . . -119.62 -178.57 16.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.491 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.81 4.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.1 m -110.02 113.34 25.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.0 p -76.17 -42.67 45.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -71.97 127.06 31.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -42.74 -66.03 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.27 92.43 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p 53.28 39.38 29.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t 56.88 42.55 26.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . 66.65 149.23 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -157.87 147.42 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.556 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.1 tt -126.51 147.79 31.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 21' ' ' SER . 15.1 t-80 -131.84 107.77 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.971 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -92.25 149.7 21.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -134.42 114.06 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.4 t -43.33 -44.4 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 71.9 mm-40 -100.45 154.61 37.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 164.41 34.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.95 31.97 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 54.21 46.17 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 68.0 mt-30 -117.73 178.04 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.66 -160.11 15.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -56.11 151.41 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 62.6 p -145.04 136.19 24.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -136.61 119.91 16.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 25.7 p -106.54 144.95 32.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -128.41 140.3 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.45 -32.7 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.99 154.0 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.493 HG23 ' HA ' ' A' ' 85' ' ' ARG . 90.3 m -52.22 107.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.771 ' HB ' HD12 ' A' ' 84' ' ' LEU . 19.7 m -92.99 151.74 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.7 t -117.95 -25.95 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -129.94 127.42 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.431 HG12 ' C ' ' A' ' 82' ' ' LYS . 49.8 mm -86.27 144.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.6 102.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 55.6 32.05 18.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 44.94 36.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.8 p90 -57.44 117.02 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.501 ' HA ' HG23 ' A' ' 80' ' ' THR . 59.5 p -53.7 157.65 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.971 HG21 HD12 ' A' ' 11' ' ' LEU . 23.0 m -143.25 124.64 14.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -98.91 -26.07 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' PRO . 51.3 p -135.44 153.89 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.538 ' CB ' HD13 ' A' ' 11' ' ' LEU . 15.3 p -144.34 171.78 13.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -138.99 108.17 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 62' ' ' LEU . 98.3 t -96.03 136.72 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -151.55 109.35 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.463 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 88.69 66.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.61 159.56 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.7 m -78.77 166.77 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.819 ' O ' HD22 ' A' ' 62' ' ' LEU . 34.8 m95 -139.98 130.33 25.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.083 HG23 HD11 ' A' ' 87' ' ' ILE . 96.9 t -103.42 129.65 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.938 HG12 HD23 ' A' ' 84' ' ' LEU . 3.2 m -120.76 120.07 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 4.3 m-85 -99.41 151.45 21.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.15 -16.95 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.72 168.29 13.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -80.7 154.98 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 64.1 m-80 63.61 35.66 11.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 53.81 48.0 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 165.4 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 -152.77 42.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.37 175.68 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 5.2 pt20 -155.9 132.3 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.522 ' HB2' HG23 ' A' ' 49' ' ' VAL . 92.3 m-85 -118.04 111.67 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.688 HG12 HG22 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -89.89 122.33 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.123 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.819 HD22 ' O ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -104.38 123.11 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -79.01 165.23 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.7 110.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.03 128.26 0.94 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -56.22 114.93 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 69.2 m-85 -99.41 101.97 14.83 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.692 0.758 . . . . 0.0 110.933 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 39' ' ' SER . 53.5 Cg_endo -69.76 -31.86 19.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.55 158.99 43.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.835 HD22 ' HB2' ' A' ' 75' ' ' CYS . 41.6 mt -60.56 -42.95 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 66.5 m -37.72 -59.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.06 -37.36 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.458 ' HB3' HD12 ' A' ' 62' ' ' LEU . 34.1 mtp -74.14 -29.97 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.79 22.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.835 ' HB2' HD22 ' A' ' 70' ' ' LEU . 82.0 m -100.35 150.37 36.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 158.53 56.69 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.35 49.07 0.2 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.19 132.76 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' ' 36' ' ' SER . 91.8 m -119.16 103.75 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.41 ' O ' HG13 ' A' ' 31' ' ' ILE . 2.6 m-85 -65.11 140.22 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.431 ' C ' HG12 ' A' ' 31' ' ' ILE . 36.5 mttt -116.63 -29.47 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 p -136.17 145.02 45.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.938 HD23 HG12 ' A' ' 49' ' ' VAL . 3.5 mt -117.56 158.41 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' HG23 ' A' ' 27' ' ' THR . 38.0 ttt85 -151.73 108.28 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.2 t80 -79.72 102.16 8.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.083 HD11 HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -85.12 102.12 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.6 t -52.4 102.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.06 135.86 6.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.74 3.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 t -70.13 115.35 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.6 m -70.28 -52.83 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -91.46 137.48 32.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.835 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 t -60.3 163.24 5.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.19 -179.09 15.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -79.5 -45.66 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.5 m -58.79 120.51 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -48.72 148.77 4.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -157.89 145.4 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.694 HD12 ' CB ' ' A' ' 47' ' ' TRP . 14.8 tt -124.3 153.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -136.09 106.81 6.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.875 HD12 HG21 ' A' ' 37' ' ' THR . 3.2 mm? -91.05 154.17 19.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -134.14 118.68 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.0 t -49.79 -43.52 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 38.1 mt-10 -102.93 155.85 36.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.72 163.01 39.82 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 63.65 32.93 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 53.25 45.56 28.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 57.1 mm-40 -116.17 178.58 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 -156.38 23.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -64.03 154.63 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.9 137.42 23.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -130.41 122.66 28.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -105.3 139.91 39.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 51.1 m-85 -126.58 139.35 53.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.86 -33.38 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -103.36 166.12 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.522 HG23 ' HA ' ' A' ' 85' ' ' ARG . 28.4 m -65.06 107.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.581 ' HB ' HD12 ' A' ' 84' ' ' LEU . 62.2 m -94.41 149.97 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -117.97 -18.09 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -136.12 141.83 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.406 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 29.7 mm -107.32 145.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -52.02 102.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 55.09 32.0 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.89 36.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.27 116.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.475 ' HA ' HG23 ' A' ' 80' ' ' THR . 25.8 p -53.95 160.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.875 HG21 HD12 ' A' ' 11' ' ' LEU . 23.6 m -143.9 116.62 8.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 13.3 mtpt -87.77 -29.86 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG2' ' A' ' 37' ' ' THR . 13.2 p -132.87 158.24 43.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -145.8 172.17 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -140.51 119.28 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.539 HG13 ' HD1' ' A' ' 47' ' ' TRP . 59.9 t -105.35 133.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.5 t -148.02 107.53 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.446 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 87.2 66.47 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 104.42 164.02 24.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.456 ' HB2' HD12 ' A' ' 87' ' ' ILE . 65.8 m -83.14 162.18 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.895 ' O ' HD22 ' A' ' 62' ' ' LEU . 48.8 m95 -135.01 129.2 33.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.685 ' CG2' HD11 ' A' ' 87' ' ' ILE . 45.1 t -104.86 129.27 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.894 HG12 HD23 ' A' ' 84' ' ' LEU . 3.2 m -119.53 113.01 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 18.2 m-85 -93.25 142.05 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.05 -12.74 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.65 168.98 13.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.443 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -85.03 152.69 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.821 0.344 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 17.3 m-80 63.57 35.19 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 56.92 47.85 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -114.49 143.53 44.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -161.54 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -54.14 175.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.484 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 9.1 pt20 -152.24 130.76 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.465 ' CG ' ' SG ' ' A' ' 75' ' ' CYS . 82.0 m-85 -122.08 107.64 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.662 HG12 HG22 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -88.94 120.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.895 HD22 ' O ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -100.79 123.54 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -74.7 164.06 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.38 116.35 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.69 -146.69 9.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -134.55 106.4 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 83.4 m-85 -98.79 102.04 13.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.699 0.761 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.79 -29.23 24.03 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.4 m -140.23 175.88 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.514 HD21 ' O ' ' A' ' 37' ' ' THR . 32.4 mt -74.23 -44.14 54.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' GLY . 12.3 t -40.07 -64.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.24 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.53 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 27.5 mtp -73.93 -25.31 59.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.5 -30.45 7.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 60' ' ' TYR . 87.6 m -55.06 149.01 26.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.4 24.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 89.03 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.75 43.93 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.39 158.93 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 36' ' ' SER . 96.9 m -139.68 131.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 3.0 m-85 -93.5 139.46 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -116.47 -25.23 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.8 p -143.39 151.31 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.894 HD23 HG12 ' A' ' 49' ' ' VAL . 1.3 mt -124.05 151.52 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.522 ' HA ' HG23 ' A' ' 27' ' ' THR . 19.9 ttm-85 -137.36 109.55 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.606 ' CZ ' ' CB ' ' A' ' 88' ' ' SER . 10.0 t80 -76.29 103.17 6.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.685 HD11 ' CG2' ' A' ' 48' ' ' VAL . 7.7 mt -74.89 -33.81 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.606 ' CB ' ' CZ ' ' A' ' 86' ' ' PHE . 14.2 p 58.09 36.33 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.416 ' HA2' ' HD2' ' A' ' 90' ' ' PRO . . . 167.32 106.62 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.416 ' HD2' ' HA2' ' A' ' 89' ' ' GLY . 53.5 Cg_endo -69.72 2.72 3.26 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.78 2.32 . . . . 0.0 112.334 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 t -114.37 144.88 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -92.83 -44.69 8.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.521 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.3 tt -127.31 143.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.796 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t60 -122.56 109.38 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.037 HD12 HG21 ' A' ' 37' ' ' THR . 2.5 mm? -96.92 147.53 23.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.796 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 57.6 m-85 -134.09 116.86 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 t -46.28 -48.34 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 34.2 mm-40 -95.65 158.16 34.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 163.83 36.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 62.7 33.27 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.48 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 m-85 53.53 45.2 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.427 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 60.7 mt-30 -117.89 178.38 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.57 -143.6 45.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -68.4 154.06 42.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.758 0.313 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -141.79 145.48 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.426 ' CD ' ' CE2' ' A' ' 35' ' ' PHE . 33.1 mt-30 -149.56 122.67 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -107.71 141.3 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -128.29 117.98 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.14 -30.53 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -113.12 169.78 8.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.478 HG23 ' HA ' ' A' ' 85' ' ' ARG . 60.1 m -61.78 119.77 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.449 ' HB ' HD12 ' A' ' 84' ' ' LEU . 51.9 m -99.55 152.41 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -116.84 -32.09 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -134.27 135.24 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.5 mm -89.58 146.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.03 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.99 32.04 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 p 46.89 38.24 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.29 118.05 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 p -53.1 162.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.037 HG21 HD12 ' A' ' 11' ' ' LEU . 51.5 m -145.44 115.01 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -89.33 -38.23 14.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -125.52 154.02 42.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -143.6 168.89 18.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -140.29 108.62 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.6 t -89.41 142.28 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -154.56 106.83 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.93 82.3 0.92 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.12 161.48 37.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.4 m -83.58 165.39 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CB ' HD12 ' A' ' 9' ' ' ILE . 43.8 m95 -138.38 130.13 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.063 HG22 HG12 ' A' ' 61' ' ' VAL . 80.1 t -102.44 131.09 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.431 HG12 ' CD2' ' A' ' 84' ' ' LEU . 3.0 m -116.47 118.72 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 2.1 m-85 -103.52 130.22 50.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.04 -16.4 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.98 163.83 12.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' HG3' ' CD ' ' A' ' 82' ' ' LYS . 37.1 mt-10 -79.94 157.15 26.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 62.29 35.68 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.27 43.11 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -107.87 164.45 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 -145.21 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -83.03 152.15 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.41 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 8.9 pt20 -126.44 134.94 50.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.426 ' O ' HG22 ' A' ' 49' ' ' VAL . 5.6 m-85 -130.26 107.24 9.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.063 HG12 HG22 ' A' ' 48' ' ' VAL . 9.4 m -74.22 166.72 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -142.87 123.64 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.99 173.09 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.81 118.22 16.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.65 -164.86 38.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -119.17 114.78 22.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 98.0 m-85 -102.53 102.02 23.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.8 Cg_endo -69.77 -30.74 21.75 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.6 p -136.04 176.5 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.703 HD22 ' HB2' ' A' ' 75' ' ' CYS . 14.1 mt -77.06 -50.37 13.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.1 t -36.58 -55.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.28 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' LEU . 25.2 mtp -75.79 -30.03 58.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -32.93 5.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.703 ' HB2' HD22 ' A' ' 70' ' ' LEU . 11.2 m -52.21 143.84 24.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.03 43.64 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.728 2.285 . . . . 0.0 112.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 89.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.34 44.9 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.6 143.8 32.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.077 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.5 m -128.72 113.1 14.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.87 134.8 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.443 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 73.8 mttt -113.3 -31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 p -132.02 157.05 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.449 HD12 ' HB ' ' A' ' 28' ' ' THR . 5.9 mt -134.8 152.84 52.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.478 ' HA ' HG23 ' A' ' 27' ' ' THR . 55.3 ttt180 -140.51 104.67 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.47 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 3.1 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.545 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.1 tt -101.71 144.92 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.51 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t60 -127.54 110.39 12.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 37' ' ' THR . 2.8 mm? -96.93 151.48 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.51 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 79.0 m-85 -134.15 112.97 11.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.0 t -43.24 -50.41 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 10.8 mt-10 -94.8 158.45 35.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 164.7 33.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 60.99 32.67 19.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.47 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 54.65 45.88 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.425 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 31.3 mt-30 -117.47 178.21 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.04 -154.24 44.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -59.42 148.72 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 p -138.06 141.8 40.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 81.0 mt-30 -144.67 126.87 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p -111.27 147.9 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -130.18 133.64 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -103.5 -33.56 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.08 165.34 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 85' ' ' ARG . 93.2 m -55.84 112.49 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.597 ' HB ' HD12 ' A' ' 84' ' ' LEU . 52.2 m -89.62 149.72 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.3 p -117.93 -30.34 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -137.58 131.25 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.1 mm -86.18 145.33 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -52.02 102.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 56.03 32.0 19.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 p 45.42 38.08 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -56.01 118.1 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 p -52.48 162.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.02 HG21 HD12 ' A' ' 11' ' ' LEU . 29.0 m -147.47 116.5 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -90.38 -29.87 17.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -133.48 153.86 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.45 172.65 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -143.99 113.11 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.77 135.31 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -149.86 106.15 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.97 84.83 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.59 162.27 37.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.0 m -82.37 163.82 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.578 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.8 m95 -139.33 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.604 HG22 HG12 ' A' ' 61' ' ' VAL . 12.9 t -100.46 130.06 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 60' ' ' TYR . 4.7 m -115.17 121.34 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 24.6 m-85 -103.04 142.12 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.54 -12.53 59.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.07 166.92 12.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.94 150.99 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 66.47 39.15 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 55.06 42.39 30.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -106.9 169.09 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.34 -163.76 50.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -70.33 143.39 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -116.23 142.05 47.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.466 ' O ' HG22 ' A' ' 49' ' ' VAL . 3.4 m-85 -134.95 104.46 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.604 HG12 HG22 ' A' ' 48' ' ' VAL . 3.9 m -69.15 161.5 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -142.54 122.91 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -81.66 164.27 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.05 124.94 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.54 -171.45 40.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.39 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.475 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 97.5 m-85 -100.05 102.0 16.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.682 0.753 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.3 Cg_endo -69.82 -29.7 23.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.29 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.18 170.53 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' MET . 51.4 mt -67.13 -48.19 68.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.2 t -38.04 -60.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -37.49 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 25.3 mtp -75.28 -27.5 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.15 -33.97 5.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 56.4 m -55.46 151.65 19.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.09 54.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 84.81 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.07 42.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.68 162.08 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.1 m -141.02 124.24 16.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -87.9 135.57 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -110.92 -32.82 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.421 ' O ' HD23 ' A' ' 84' ' ' LEU . 85.0 p -135.8 168.03 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.597 HD12 ' HB ' ' A' ' 28' ' ' THR . 3.9 mt -142.32 157.96 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 27' ' ' THR . 16.6 ttt85 -145.27 104.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 3.3 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.706 0.288 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.511 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.4 tt -111.58 137.17 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.575 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.2 t60 -121.96 107.76 12.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.992 HD12 HG21 ' A' ' 37' ' ' THR . 3.3 mm? -94.97 151.43 19.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 33.1 m-85 -134.5 118.11 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.8 p -49.57 -35.09 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 59.1 mm-40 -109.58 157.77 36.53 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.634 0.731 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 62.35 34.45 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.7 m-85 52.1 44.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 73.0 mt-30 -113.64 178.19 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -156.99 30.52 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -61.99 144.23 55.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.814 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.0 p -136.49 143.75 43.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -141.19 135.19 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -117.75 149.16 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 70.5 m-85 -133.26 138.74 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -109.03 -28.12 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -109.86 163.25 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 m -59.1 102.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -87.81 146.61 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.2 t -117.9 -23.63 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -131.86 137.96 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 20.1 mm -100.46 146.25 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.0 102.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.6 t0 56.5 32.05 20.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 p 46.09 38.02 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -57.92 116.88 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' HG23 ' A' ' 80' ' ' THR . 73.8 m -57.24 162.47 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.992 HG21 HD12 ' A' ' 11' ' ' LEU . 17.6 m -142.07 117.96 10.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -88.3 -27.5 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 p -138.26 153.94 49.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.596 ' CB ' HD13 ' A' ' 11' ' ' LEU . 13.3 p -144.95 167.89 21.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -139.5 111.43 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' A' ' 62' ' ' LEU . 85.9 t -99.31 140.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.5 114.16 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.73 58.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 106.65 159.34 21.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.6 m -79.77 165.22 23.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.511 ' CB ' HD12 ' A' ' 9' ' ' ILE . 30.2 m95 -141.65 134.16 28.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.023 HG22 HG12 ' A' ' 61' ' ' VAL . 97.0 t -104.08 137.18 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.601 HG12 HD23 ' A' ' 84' ' ' LEU . 4.5 m -122.6 120.57 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -100.18 135.94 40.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -69.98 -15.68 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.66 168.98 14.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' THR . 18.4 mm-40 -85.25 153.82 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.459 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 28.8 m-80 64.93 34.15 9.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER 55.54 45.95 23.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' GLU . 66.1 p -105.41 176.74 5.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.33 -143.12 38.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -85.3 163.25 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -131.59 137.2 48.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -130.93 117.66 19.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.023 HG12 HG22 ' A' ' 48' ' ' VAL . 10.7 m -82.77 166.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 42' ' ' VAL . 8.0 mt -141.85 124.62 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -72.76 162.92 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.73 120.71 15.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.6 -174.86 36.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.61 ' H ' ' CD2' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -103.49 121.46 42.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 95.7 m-85 -109.71 102.03 48.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.75 -28.72 24.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 p -138.02 175.44 9.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.61 -47.89 29.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -39.28 -57.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.81 -37.86 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 mtp -74.76 -29.68 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.61 -34.39 5.16 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 64.8 m -52.1 149.41 9.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.8 33.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 86.51 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.51 41.39 0.36 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.74 123.96 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 36' ' ' SER . 51.9 m -108.46 118.57 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -80.94 137.76 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -117.9 -27.44 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -141.96 145.18 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 49' ' ' VAL . 2.3 mt -119.13 161.03 21.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -148.09 109.19 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.485 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.8 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.666 HD12 ' CB ' ' A' ' 47' ' ' TRP . 13.4 tt -116.43 141.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.585 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -126.64 109.22 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.777 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -97.27 152.46 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 38.4 m-85 -134.74 116.38 14.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 t -45.7 -49.54 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.62 157.17 35.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.07 28.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 62.52 31.94 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 52.13 43.44 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -117.01 178.36 4.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.39 48.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -59.55 153.26 20.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.2 p -139.15 139.58 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -142.18 119.95 11.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -108.77 143.52 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -128.66 107.86 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.65 -33.91 64.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -115.17 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.597 HG23 ' HA ' ' A' ' 85' ' ' ARG . 31.3 m -57.01 143.74 36.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.62 ' HB ' HD12 ' A' ' 84' ' ' LEU . 55.3 m -121.77 148.58 44.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.6 p -114.97 -31.15 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -138.74 120.15 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 48.9 mm -71.77 144.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.96 102.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t0 56.68 31.99 20.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 p 46.15 34.94 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.5 p90 -55.25 116.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.8 t -53.28 163.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.777 HG21 HD12 ' A' ' 11' ' ' LEU . 70.2 m -150.24 126.42 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -98.57 -29.58 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -130.77 155.39 46.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' A' ' 62' ' ' LEU . 17.8 p -147.05 169.7 18.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -141.09 114.96 9.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.5 t -101.53 138.56 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -156.79 111.09 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.75 56.92 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.2 161.08 21.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.7 m -80.76 165.43 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.666 ' CB ' HD12 ' A' ' 9' ' ' ILE . 37.0 m95 -139.85 129.79 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' CG1' ' CZ ' ' A' ' 50' ' ' TYR . 3.5 t -95.02 123.9 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 60' ' ' TYR . 2.8 m -112.39 113.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 4.2 m-85 -101.74 143.7 31.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -86.78 17.21 4.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.72 151.04 22.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 56' ' ' THR . 29.9 mt-10 -65.84 150.52 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 62.45 35.19 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 53.41 41.67 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 53' ' ' GLU . 73.2 p -97.79 172.44 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.19 -128.07 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -100.52 166.11 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 pt20 -137.18 140.53 41.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.559 ' O ' HG22 ' A' ' 49' ' ' VAL . 21.4 m-85 -137.22 119.5 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.61 151.65 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.781 HD13 ' SG ' ' A' ' 40' ' ' CYS . 23.8 mt -127.77 122.77 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.44 175.88 8.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.64 118.83 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.38 155.34 7.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.433 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.418 ' H ' ' CD2' ' A' ' 66' ' ' HIS . 7.9 p80 -81.96 105.67 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -93.12 106.47 19.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.729 0.776 . . . . 0.0 110.944 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -32.82 17.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -137.9 172.75 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 73' ' ' MET . 46.5 mt -70.23 -45.24 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -37.8 -53.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.08 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' LEU . 28.8 mtp -75.29 -29.61 60.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.82 -34.4 5.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 23.1 m -52.64 154.21 4.92 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.77 20.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 111.67 2.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.29 43.01 5.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.55 139.03 30.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -118.96 108.38 14.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.76 140.37 47.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.435 ' C ' HG12 ' A' ' 31' ' ' ILE . 26.0 mttt -117.48 -34.94 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -133.85 148.8 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.62 HD12 ' HB ' ' A' ' 28' ' ' THR . 6.3 mt -124.51 155.47 38.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.597 ' HA ' HG23 ' A' ' 27' ' ' THR . 40.0 ttt180 -142.32 106.06 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.762 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.1 tt -119.36 144.87 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.794 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 6.7 t60 -136.34 118.64 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.736 HD23 ' HE1' ' A' ' 24' ' ' PHE . 2.5 mm? -103.2 153.04 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.794 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 98.9 m-85 -131.95 112.58 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -42.28 -49.7 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 15.8 mt-10 -96.73 156.84 36.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 163.3 38.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 64.79 32.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.435 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 4.1 m-85 54.54 46.61 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 92.0 mm-40 -121.67 177.64 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.34 -161.05 48.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -52.89 155.63 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -136.58 140.0 42.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -146.91 120.07 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.1 p -110.26 151.52 27.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.736 ' HE1' HD23 ' A' ' 11' ' ' LEU . 34.0 m-85 -130.67 138.08 49.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -104.6 -32.22 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -118.42 169.16 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 85' ' ' ARG . 23.6 m -56.57 112.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.518 ' HB ' HD12 ' A' ' 84' ' ' LEU . 60.7 m -93.26 149.24 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 p -117.75 -25.99 6.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 143.4 50.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 32' ' ' ASP . 43.4 mm -107.4 154.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' ILE . 1.9 t0 -52.05 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.75 31.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.0 p 56.59 35.89 26.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -54.78 116.22 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -56.54 153.37 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 11' ' ' LEU . 50.6 m -134.99 127.61 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -126.89 153.87 45.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.712 ' SG ' HD13 ' A' ' 62' ' ' LEU . 20.1 p -144.2 171.95 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -142.44 110.42 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 98.7 t -100.21 135.88 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -157.92 109.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 35.96 4.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.485 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 124.35 163.8 11.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -80.93 164.99 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.762 ' CB ' HD12 ' A' ' 9' ' ' ILE . 34.0 m95 -142.5 130.34 21.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.002 HG22 HG12 ' A' ' 61' ' ' VAL . 25.9 t -101.97 128.8 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.732 HG12 HD23 ' A' ' 84' ' ' LEU . 13.2 m -115.24 118.41 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.419 ' HD1' ' HG ' ' A' ' 83' ' ' SER . 1.5 m-85 -100.8 138.2 38.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -14.25 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.3 163.02 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 56' ' ' THR . 8.0 mm-40 -76.56 151.31 36.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 65.1 38.38 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 53.31 42.37 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' GLU . 82.6 p -102.25 174.92 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.93 -150.74 48.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -79.43 148.63 31.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 5.0 pp0? -121.17 142.24 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.81 115.2 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.002 HG12 HG22 ' A' ' 48' ' ' VAL . 16.7 m -82.29 163.95 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.712 HD13 ' SG ' ' A' ' 40' ' ' CYS . 25.2 mt -139.05 123.97 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.66 168.55 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.44 116.68 6.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.14 158.75 9.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -85.81 111.73 20.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 97.4 m-85 -97.94 102.06 12.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 66' ' ' HIS . 54.0 Cg_endo -69.71 -31.57 20.48 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.41 174.0 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.448 HD22 ' HB2' ' A' ' 75' ' ' CYS . 19.2 mt -74.01 -49.08 26.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 74' ' ' GLY . 6.4 t -38.16 -61.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.2 -37.33 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' LEU . 30.4 mtp -75.02 -29.7 60.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 99.53 18.71 22.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.448 ' HB2' HD22 ' A' ' 70' ' ' LEU . 28.1 m -97.69 151.73 37.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.8 33.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.75 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.25 40.35 5.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.31 140.92 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -126.74 122.32 34.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 1.5 m-85 -81.47 139.51 35.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -117.99 -29.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.419 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 51.7 p -139.0 151.0 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.732 HD23 HG12 ' A' ' 49' ' ' VAL . 6.8 mt -126.61 155.38 42.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.583 ' HA ' HG23 ' A' ' 27' ' ' THR . 50.5 ttt180 -143.5 103.89 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 6.1 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.49 ' NE2' ' HG3' ' A' ' 25' ' ' GLU . 35.8 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.532 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 20.3 tt -113.9 137.1 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -123.54 110.29 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.862 HD12 HG21 ' A' ' 37' ' ' THR . 2.6 mm? -98.16 150.83 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CG ' ' HA ' ' A' ' 17' ' ' PHE . 9.3 m-85 -134.21 114.24 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -43.77 -42.25 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -102.62 155.19 36.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 162.56 41.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 66.28 32.04 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.448 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.6 m-85 52.83 45.44 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -119.42 178.05 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.09 -158.01 38.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -58.01 134.5 56.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.9 p -126.13 136.83 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.92 121.0 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 p -109.28 145.34 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -127.12 121.92 32.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.49 ' HG3' ' NE2' ' A' ' 8' ' ' GLN . 29.6 mt-10 -86.73 -36.32 18.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.63 171.05 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 84' ' ' LEU . 84.0 m -59.64 133.26 55.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -115.05 148.63 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -112.33 -31.07 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -135.68 142.64 45.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 50.5 mm -96.36 145.74 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 102.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t0 57.21 32.04 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.2 p 46.05 35.57 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 1.4 p90 -56.24 116.98 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.477 ' HA ' HG23 ' A' ' 80' ' ' THR . 20.0 m -52.36 164.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.862 HG21 HD12 ' A' ' 11' ' ' LEU . 66.0 m -146.59 118.48 8.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -92.41 -37.61 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -123.86 158.13 32.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' HB2' HD13 ' A' ' 11' ' ' LEU . 14.0 p -146.04 172.0 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.03 113.2 7.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.72 136.27 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 t -156.06 110.52 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.79 70.97 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.81 162.77 32.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 m -80.45 163.62 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 34.3 m95 -140.19 122.53 15.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 61' ' ' VAL . 6.5 t -94.33 127.03 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 60' ' ' TYR . 3.5 m -111.09 118.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.416 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -110.69 126.34 54.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.964 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.26 12.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.68 146.76 16.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 56' ' ' THR . 43.3 mt-10 -67.75 143.14 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 67.85 32.47 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 56.93 44.16 23.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 53' ' ' GLU . 43.4 p -106.84 163.95 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.29 -133.54 11.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -100.23 147.99 25.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 1.7 pm0 -120.35 142.33 49.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.49 ' O ' HG22 ' A' ' 49' ' ' VAL . 3.3 m-85 -136.96 108.35 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.622 HG12 HG22 ' A' ' 48' ' ' VAL . 5.5 m -71.03 168.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.497 HD13 ' SG ' ' A' ' 40' ' ' CYS . 32.1 mt -145.83 124.14 12.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.96 169.94 17.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.5 114.64 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.11 170.23 31.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.461 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -95.03 115.33 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.403 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 99.3 m-85 -98.75 101.96 13.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.632 0.73 . . . . 0.0 110.968 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -33.2 17.07 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.1 p -137.29 174.07 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 75' ' ' CYS . 16.2 mt -72.44 -43.69 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -40.42 -61.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -38.03 18.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.403 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 31.0 mtp -74.11 -28.54 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.39 -32.81 6.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.412 ' HB2' HD22 ' A' ' 70' ' ' LEU . 17.1 m -55.03 147.75 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.85 44.33 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 81.62 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.254 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.72 55.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.477 HG23 ' HA ' ' A' ' 36' ' ' SER . 92.5 m -112.7 113.84 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.44 142.98 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -117.89 -35.57 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.5 p -136.48 153.71 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 49' ' ' VAL . 6.7 mt -126.74 163.07 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -149.75 106.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 47' ' ' TRP . 12.2 tt -128.44 154.47 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.7 t60 -139.7 109.98 6.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 37' ' ' THR . 2.5 mm? -98.65 152.6 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 86.5 m-85 -134.16 113.6 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -41.58 -49.58 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 44.4 mm-40 -96.41 157.61 35.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 166.04 28.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 60.76 31.96 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.9 m-85 55.4 45.54 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 27.2 mm100 -115.86 178.2 4.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.25 -158.1 31.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.6 p -147.18 141.14 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -144.29 123.53 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.5 p -108.33 140.94 40.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' HG22 ' A' ' 9' ' ' ILE . 44.6 m-85 -128.61 134.48 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -106.56 -33.13 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -105.78 171.52 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.7 m -64.43 106.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 m -86.81 147.56 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -114.71 -30.82 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -132.76 142.51 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.21 147.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.07 102.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.78 32.0 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 p 46.18 33.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.2 p90 -52.34 118.04 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 34.5 m -52.04 158.51 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.735 HG21 HD12 ' A' ' 11' ' ' LEU . 98.2 m -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -100.7 -35.47 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 p -127.82 154.81 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.689 ' SG ' HD13 ' A' ' 62' ' ' LEU . 14.7 p -145.86 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' HIS . 6.8 ttm180 -141.91 108.58 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.06 142.53 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.77 116.0 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.91 62.03 1.63 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 161.54 24.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.8 m -79.1 164.74 24.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CB ' HD12 ' A' ' 9' ' ' ILE . 29.0 m95 -141.58 128.66 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.973 HG22 HG12 ' A' ' 61' ' ' VAL . 92.5 t -99.91 128.18 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' A' ' 84' ' ' LEU . 4.4 m -112.73 120.64 63.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -103.9 146.85 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -82.8 -18.11 41.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.08 161.11 13.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 40.2 mt-10 -77.17 152.95 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.437 ' ND2' ' C ' ' A' ' 53' ' ' GLU . 1.2 m-80 66.58 33.75 6.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 54.2 41.55 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.1 p -101.95 168.13 9.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.05 -140.64 23.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -89.01 161.92 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.42 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 17.2 pt20 -132.15 144.21 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -136.99 105.28 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.973 HG12 HG22 ' A' ' 48' ' ' VAL . 3.3 m -72.84 151.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.689 HD13 ' SG ' ' A' ' 40' ' ' CYS . 29.0 mt -129.21 122.68 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.87 176.08 8.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.47 113.26 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.59 157.05 10.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.506 ' H ' ' CD2' ' A' ' 66' ' ' HIS . 5.4 p80 -81.02 111.52 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 73' ' ' MET . 97.4 m-85 -98.46 102.08 13.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.0 Cg_endo -69.77 -36.43 10.79 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.4 t -135.42 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 73' ' ' MET . 37.3 mt -70.11 -44.46 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -36.29 -61.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.85 -35.12 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.582 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 14.8 mtm -76.51 -30.31 57.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.6 -29.55 11.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 33.0 m -53.79 151.89 10.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.89 40.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 91.87 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.37 43.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.02 114.06 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.3 m -98.18 120.41 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 2.7 m-85 -83.26 138.36 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -117.94 -31.67 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.2 p -137.12 153.76 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.436 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.9 mt -129.95 156.28 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -142.43 104.79 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.438 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.4 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.591 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.0 tt -150.67 135.45 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 t60 -122.93 117.7 26.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.818 HD12 HG21 ' A' ' 37' ' ' THR . 1.5 mm? -102.2 155.51 18.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 21' ' ' SER . 69.8 m-85 -134.24 113.86 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -43.7 -45.63 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 36.3 mt-10 -100.58 156.07 35.63 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 165.4 31.13 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 62.51 32.39 16.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 54.11 46.8 24.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 91.0 mt-30 -118.09 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.63 -161.06 23.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -60.25 149.3 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.488 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 78.1 p -147.5 144.73 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -132.93 156.12 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.421 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 11.1 p -130.15 138.4 50.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -131.41 133.19 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.19 -33.02 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -105.11 162.54 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.56 HG23 ' HA ' ' A' ' 85' ' ' ARG . 58.0 m -59.93 106.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 m -94.03 151.24 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.465 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -117.96 -21.46 8.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 22.2 mp0 -129.19 148.05 51.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.0 mm -113.61 145.98 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.29 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 55.82 31.98 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 43.96 38.3 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -57.14 118.69 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.558 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 28.4 p -52.05 163.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.818 HG21 HD12 ' A' ' 11' ' ' LEU . 33.7 m -145.67 110.14 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -85.82 -33.51 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 p -129.36 150.83 50.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.536 ' HB2' HD13 ' A' ' 11' ' ' LEU . 20.2 p -142.62 169.02 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -141.7 105.98 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.88 149.33 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -158.03 105.71 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 87.37 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.44 162.03 30.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -77.7 164.61 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CB ' HD12 ' A' ' 9' ' ' ILE . 25.9 m95 -140.32 134.17 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 61' ' ' VAL . 17.8 t -100.79 137.65 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 60' ' ' TYR . 9.2 m -125.01 114.27 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 9.7 m-85 -100.15 150.34 22.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.98 17.91 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.63 143.15 13.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.78 144.62 56.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 68.04 34.48 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 83' ' ' SER . 6.4 m-85 56.74 47.96 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.8 p -107.92 155.79 19.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.58 -132.79 11.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -98.75 169.23 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.58 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 7.9 pt20 -138.94 140.61 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.615 ' O ' HG22 ' A' ' 49' ' ' VAL . 8.4 m-85 -137.06 111.97 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.721 HG12 HG22 ' A' ' 48' ' ' VAL . 16.0 m -73.23 166.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD13 ' SG ' ' A' ' 40' ' ' CYS . 8.4 mt -144.9 125.55 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -76.15 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.22 115.68 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 170.71 -162.18 35.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -119.38 118.55 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 96.4 m-85 -108.97 101.94 46.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.682 0.753 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.77 -29.33 23.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.2 m -138.56 170.97 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' HB2' ' A' ' 75' ' ' CYS . 46.5 mt -70.93 -47.46 58.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.2 t -37.37 -62.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.26 -37.25 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.7 mtp -76.04 -26.95 57.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.74 -32.34 7.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.43 ' HB2' HD22 ' A' ' 70' ' ' LEU . 89.9 m -53.65 150.45 13.29 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.847 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 163.15 39.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 93.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.14 48.83 0.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.88 138.7 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.0 m -121.16 107.84 13.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.458 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 3.6 m-85 -69.26 137.38 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -118.01 -28.67 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.492 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 51.1 p -141.28 145.05 35.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.0 mt -119.62 157.3 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HA ' HG23 ' A' ' 27' ' ' THR . 36.5 ttt180 -143.35 108.12 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.3 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.56 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.1 tt -117.7 137.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.0 t60 -126.93 108.78 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -93.65 155.21 17.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 77.2 m-85 -133.87 117.77 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -46.56 -45.35 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.43 156.42 35.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.4 Cg_endo -69.81 165.85 29.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 62.48 33.82 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 52.54 41.57 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -115.41 178.93 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.14 -160.66 26.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -56.88 149.15 19.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.3 p -143.25 141.27 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -137.03 139.17 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.434 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 19.6 p -117.37 142.48 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.536 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 78.5 m-85 -127.97 109.18 11.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.71 -34.24 58.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -115.73 171.11 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.598 HG23 ' HA ' ' A' ' 85' ' ' ARG . 38.2 m -58.25 133.45 55.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 m -108.29 151.02 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -113.13 -32.58 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -141.59 126.14 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 42.3 mm -77.15 145.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.02 102.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.18 31.96 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 45.26 39.79 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -55.72 117.17 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 p -52.21 158.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.828 HG21 HD12 ' A' ' 11' ' ' LEU . 58.5 m -147.31 121.48 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 11.3 mttm -96.45 -32.03 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 p -125.25 155.27 40.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 p -143.01 172.01 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -145.42 113.39 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -101.38 140.46 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -157.69 108.92 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.48 58.31 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.45 163.89 21.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.3 m -84.33 165.56 18.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 32.6 m95 -140.6 134.93 31.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 59' ' ' GLN . 3.3 t -99.22 137.52 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 60' ' ' TYR . 4.9 m -125.26 113.75 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' HD1' ' HG ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -100.63 142.59 31.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.14 -13.43 59.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -111.03 163.58 12.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 56' ' ' THR . 15.1 mt-10 -79.49 153.69 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 54' ' ' ASN . 1.7 m-80 62.82 36.26 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 56.53 47.39 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 53' ' ' GLU . 81.0 p -107.57 159.44 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.79 -152.47 31.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -77.61 153.18 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 7.6 pt20 -125.45 136.89 53.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.627 ' O ' HG22 ' A' ' 49' ' ' VAL . 12.3 m-85 -129.76 114.1 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 48' ' ' VAL . 11.2 m -78.13 165.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.4 mt -138.63 123.25 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -81.73 163.22 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.33 111.47 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.81 156.12 10.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.34 110.8 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 103.12 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 110.92 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.26 17.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 56.3 m -139.26 177.64 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 75' ' ' CYS . 14.1 mt -72.18 -47.92 47.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.4 t -37.53 -59.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.7 -37.81 52.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.8 mtp -74.5 -29.78 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.88 -33.74 5.73 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.563 ' HB2' HD22 ' A' ' 70' ' ' LEU . 28.2 m -52.34 152.05 6.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 160.89 48.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 90.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.69 43.25 0.46 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.79 148.83 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.5 m -130.36 108.11 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.402 ' O ' HG13 ' A' ' 31' ' ' ILE . 1.4 m-85 -71.44 136.59 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.435 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 37.2 mttt -114.96 -30.21 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.469 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 24.8 p -135.95 153.78 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.536 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 12.0 mt -128.73 156.47 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.598 ' HA ' HG23 ' A' ' 27' ' ' THR . 62.5 ttt-85 -145.88 102.6 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.581 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.8 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.536 HD12 ' CB ' ' A' ' 47' ' ' TRP . 14.1 tt -102.87 149.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.708 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -135.95 106.05 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -100.87 143.21 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.708 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 33.0 m-85 -124.57 115.64 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -39.54 -48.64 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 5.5 mm-40 -97.02 155.29 37.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 63.65 33.28 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 53.34 44.81 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 66.7 mt-30 -118.49 177.8 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.03 -158.83 29.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -54.06 153.19 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 p -145.43 140.26 27.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -142.71 131.84 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 p -113.96 143.81 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 62.7 m-85 -126.86 130.5 50.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.98 -32.2 10.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 170.13 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -58.75 124.02 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -103.61 145.13 30.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 p -112.08 -26.49 8.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -141.86 124.76 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.44 HG12 ' C ' ' A' ' 82' ' ' LYS . 46.2 mm -83.11 150.58 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -52.02 103.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t70 53.2 32.01 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 44.85 35.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -52.05 121.89 7.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.7 m -51.99 147.42 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.799 HG21 HD12 ' A' ' 11' ' ' LEU . 85.7 m -126.04 111.33 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -93.94 -36.34 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.8 p -125.93 151.37 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.626 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 31.6 p -142.87 168.78 18.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -145.55 102.03 3.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.3 137.58 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.34 104.12 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.15 67.21 1.0 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.95 167.02 28.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.506 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 m -85.17 163.05 18.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 27.2 m95 -140.0 125.94 19.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.044 HG22 HG12 ' A' ' 61' ' ' VAL . 58.8 t -98.47 122.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.46 ' HB ' ' CG ' ' A' ' 81' ' ' PHE . 4.2 m -105.57 121.63 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.517 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -109.82 126.53 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.53 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.9 t70 -80.25 14.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.43 125.31 4.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 11.9 mt-10 -51.99 147.41 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 29.0 m-80 64.73 35.83 8.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 83' ' ' SER . 17.3 m-85 52.94 43.32 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -105.32 162.17 13.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.23 -136.32 14.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -95.97 170.18 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.486 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 15.6 pt20 -138.97 135.45 34.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -130.77 116.27 17.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.044 HG12 HG22 ' A' ' 48' ' ' VAL . 10.5 m -78.7 167.67 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -146.59 123.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -81.64 160.66 23.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.58 122.77 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.64 157.44 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -83.28 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.626 ' HD2' ' HG ' ' A' ' 40' ' ' CYS . 83.4 m-85 -106.15 102.02 37.61 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.689 0.757 . . . . 0.0 110.934 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -34.45 14.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.59 173.64 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 37' ' ' THR . 40.7 mt -73.8 -47.57 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -39.77 -54.26 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.63 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.498 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 24.2 mtp -75.31 -29.23 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.78 -35.6 4.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.3 m -52.47 155.44 3.7 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 160.69 48.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.38 49.43 0.52 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.5 155.78 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.0 m -134.47 110.6 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.46 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 5.2 m-85 -78.89 135.52 37.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -112.4 -28.66 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.542 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 52.3 p -137.15 155.1 49.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.0 mt -131.97 165.39 24.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -152.25 102.15 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 3.4 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 24' ' ' PHE . 19.4 tt -126.41 143.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.795 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.6 t60 -129.16 110.45 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.854 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -101.66 146.3 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.795 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 10.2 m-85 -134.13 112.59 11.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -38.71 -44.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 18.5 mt-10 -99.26 155.66 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' CG ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.81 166.75 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.15 32.19 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.7 m-85 54.57 47.02 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.443 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 23.9 mm100 -120.77 177.79 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.38 -157.89 46.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -52.21 136.36 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 p -120.23 137.11 54.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.57 119.77 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.0 p -116.74 141.4 48.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 9' ' ' ILE . 15.4 m-85 -125.18 139.87 53.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 -36.27 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -100.68 167.55 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.411 HG23 ' HA ' ' A' ' 85' ' ' ARG . 28.1 m -62.02 108.03 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -88.71 147.68 24.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -110.7 -32.97 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -132.93 145.9 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.402 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 43.7 mm -102.98 151.28 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.01 103.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 32.09 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 p 48.53 39.03 12.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.1 p90 -59.8 117.95 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.442 ' HA ' HG23 ' A' ' 80' ' ' THR . 27.8 p -51.93 157.4 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.854 HG21 HD12 ' A' ' 11' ' ' LEU . 74.9 m -126.58 116.14 20.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 1.7 mmpt? -85.97 -38.46 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 p -135.09 159.53 41.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.99 168.14 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -144.46 102.95 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 62' ' ' LEU . 88.3 t -96.06 138.79 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 t -157.87 104.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.92 53.34 0.97 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.03 175.2 19.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.47 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.7 m -91.24 165.04 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 43.4 m95 -145.99 115.62 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG22 HG12 ' A' ' 61' ' ' VAL . 90.3 t -90.64 131.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.482 HG12 ' CD2' ' A' ' 84' ' ' LEU . 7.0 m -115.93 121.47 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -102.31 130.59 49.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.38 -15.3 63.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.17 159.63 13.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -76.89 156.22 32.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 66.26 32.12 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 51.87 48.04 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -111.67 170.5 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.76 -144.47 28.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -79.65 155.96 27.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.43 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -130.3 137.58 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -134.0 115.38 14.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.037 HG12 HG22 ' A' ' 48' ' ' VAL . 3.0 m -83.8 146.96 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HB2' HG21 ' A' ' 42' ' ' VAL . 6.8 mt -119.89 122.95 42.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.01 175.6 9.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -74.74 114.59 13.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.54 142.08 3.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -70.13 111.31 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 93.7 m-85 -96.65 103.92 16.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.736 0.779 . . . . 0.0 110.891 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.75 -34.31 14.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.742 2.294 . . . . 0.0 112.325 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.8 t -134.42 170.49 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 36.1 mt -73.5 -46.71 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.7 m -38.46 -53.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' LEU . 26.9 mtp -74.9 -30.18 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.45 -33.87 5.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.408 ' HB2' HD22 ' A' ' 70' ' ' LEU . 16.4 m -52.15 144.07 22.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.41 57.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 94.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.85 43.16 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.1 130.27 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.442 HG23 ' HA ' ' A' ' 36' ' ' SER . 85.1 m -113.55 113.9 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -72.72 137.97 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -117.73 -33.23 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 p -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.482 ' CD2' HG12 ' A' ' 49' ' ' VAL . 4.1 mt -122.72 156.19 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.411 ' HA ' HG23 ' A' ' 27' ' ' THR . 33.4 ttp180 -141.78 112.7 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.555 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 12.4 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.715 0.293 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.7 tt -111.89 137.47 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.503 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 2.3 t60 -124.49 109.66 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.905 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -93.43 154.53 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -133.0 119.37 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -50.28 -49.86 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.96 157.63 34.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.84 33.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 62.59 32.22 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 52.36 42.0 30.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.74 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.06 -142.95 46.91 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -75.3 155.74 36.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -146.67 138.97 24.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -139.29 120.78 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.503 ' HB3' ' CG ' ' A' ' 10' ' ' HIS . 28.1 p -110.67 143.88 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CD1' HD11 ' A' ' 84' ' ' LEU . 54.2 m-85 -123.97 103.74 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.89 -39.0 90.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 27' ' ' THR . 2.9 pp20? -110.39 177.82 4.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' CD ' ' A' ' 26' ' ' GLU . 96.9 m -58.58 146.0 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.3 m -123.27 146.8 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -110.62 -32.17 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -143.22 135.12 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.425 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 35.0 mm -88.56 147.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.04 102.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 54.13 32.07 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 p 45.85 37.41 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -52.4 115.43 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -52.19 149.29 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.905 HG21 HD12 ' A' ' 11' ' ' LEU . 26.9 m -133.95 112.09 10.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -85.14 -28.42 25.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 p -135.9 150.97 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' CB ' HD13 ' A' ' 11' ' ' LEU . 18.0 p -138.93 172.48 12.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -143.91 105.91 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 95.7 t -94.4 127.12 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.6 t -149.11 103.74 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.54 33.56 1.57 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.493 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.3 178.7 16.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 m -86.68 162.69 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.48 ' CB ' HD12 ' A' ' 9' ' ' ILE . 41.8 m95 -145.31 126.66 14.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.081 HG22 HG12 ' A' ' 61' ' ' VAL . 55.4 t -97.98 122.49 49.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.645 HG12 ' CD2' ' A' ' 84' ' ' LEU . 11.3 m -109.33 125.93 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 5.3 m-85 -104.45 142.45 34.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.28 17.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.46 141.18 10.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -58.97 146.52 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 66.98 36.01 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 54.24 39.15 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -101.6 160.63 14.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.96 -128.72 9.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -99.5 175.59 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.458 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 6.7 pt20 -143.88 137.63 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -135.96 110.26 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.081 HG12 HG22 ' A' ' 48' ' ' VAL . 4.8 m -76.43 162.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -143.21 125.43 15.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.99 166.35 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.04 114.72 2.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.37 156.52 10.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.67 112.77 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.408 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 92.3 m-85 -100.6 102.04 17.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.693 0.759 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.1 Cg_endo -69.74 -26.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.7 p -140.62 177.18 8.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' MET . 30.8 mt -77.34 -52.43 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' GLY . 22.8 t -35.03 -64.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.32 -37.2 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 32.1 mtp -74.4 -29.39 61.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.52 -34.0 5.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.5 m -52.0 158.06 1.9 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.725 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.68 170.11 17.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.6 48.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -97.89 134.12 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -123.51 109.65 14.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.99 134.86 53.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -117.99 -32.32 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.9 p -140.47 150.83 44.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.645 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.5 mt -121.44 165.28 15.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 ttt-85 -156.27 107.31 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 tt -128.34 147.16 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -126.22 108.16 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 37' ' ' THR . 2.9 mm? -97.93 148.2 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 2.6 m-85 -134.14 126.09 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.7 t -54.57 -42.53 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 49.5 mm-40 -101.68 156.22 35.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.74 165.73 29.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 62.6 33.61 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 52.45 43.85 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.424 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 75.4 mt-30 -118.16 178.95 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.31 -153.01 46.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -53.41 151.41 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.5 p -139.18 135.02 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 13.5 mt-30 -143.45 119.15 10.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -110.84 140.5 45.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.416 ' CD2' HD11 ' A' ' 84' ' ' LEU . 87.5 m-85 -122.83 122.15 37.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -88.02 -34.2 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -116.41 173.82 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.653 HG23 ' HA ' ' A' ' 85' ' ' ARG . 34.3 m -56.74 135.26 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.7 m -116.19 146.44 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t -117.98 -20.83 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -137.56 148.12 45.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 mm -112.71 148.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.46 102.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.45 31.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p 55.2 38.47 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -53.88 116.53 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 24.2 p -54.4 162.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.783 HG21 HD12 ' A' ' 11' ' ' LEU . 96.3 m -146.79 122.32 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -97.62 -28.33 13.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.2 p -130.18 154.4 47.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 20.6 p -145.63 162.38 37.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -141.83 101.98 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 48.1 t -84.29 141.67 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.96 106.32 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.52 31.57 2.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.06 -170.59 13.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -92.08 162.32 14.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -142.44 124.86 15.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.758 HG22 HG12 ' A' ' 61' ' ' VAL . 21.2 t -96.02 124.36 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 60' ' ' TYR . 9.7 m -109.07 127.09 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -110.23 128.68 55.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.18 59.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.56 150.98 17.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' CG ' ' HD3' ' A' ' 82' ' ' LYS . 39.1 mt-10 -71.2 154.08 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 3.0 m-80 67.38 34.0 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.5 OUTLIER 55.16 44.22 28.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.0 p -108.74 176.79 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.0 -148.34 44.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -76.5 175.59 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 18.9 pt20 -146.98 137.72 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.566 ' O ' HG22 ' A' ' 49' ' ' VAL . 2.8 m-85 -134.46 111.07 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.758 HG12 HG22 ' A' ' 48' ' ' VAL . 4.1 m -75.79 161.73 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -140.55 123.21 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.44 158.34 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.04 113.72 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.79 -175.18 46.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -108.46 111.74 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.8 m-85 -100.73 102.08 18.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.701 0.762 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.82 -33.33 16.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -138.0 171.88 13.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.67 -45.98 60.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 t -41.27 -53.8 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.8 -36.33 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.526 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 27.1 mtp -76.11 -25.86 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -32.88 6.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.0 m -52.06 146.78 14.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.61 18.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.19 2.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.84 54.13 0.67 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.27 129.8 56.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.0 m -126.96 107.19 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.24 133.34 55.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 64.6 mttt -117.62 -24.87 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -149.26 150.18 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.0 mt -121.96 161.48 22.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.653 ' HA ' HG23 ' A' ' 27' ' ' THR . 49.3 ttt180 -156.87 109.88 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.0 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 4.2 tm0? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.508 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.8 tt -114.23 136.97 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.7 t60 -125.91 113.14 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.749 HD12 HG21 ' A' ' 37' ' ' THR . 2.6 mm? -96.97 151.01 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.63 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 31.1 m-85 -134.39 118.41 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -50.73 -44.51 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 14.9 mm-40 -97.55 155.45 37.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.58 41.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 63.2 33.46 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 52.43 44.98 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.428 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 77.0 mt-30 -114.0 179.07 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -154.27 35.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -65.4 139.11 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.3 p -135.19 148.08 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.413 HE22 ' CB ' ' A' ' 32' ' ' ASP . 35.9 mt-30 -137.69 158.11 45.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 p -136.3 139.52 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -127.41 103.72 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.17 -35.03 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -115.44 172.17 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 85' ' ' ARG . 86.5 m -56.49 145.3 28.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.564 ' HB ' HD12 ' A' ' 84' ' ' LEU . 53.3 m -126.56 147.92 49.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 p -111.13 -31.57 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -133.35 139.67 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.7 mm -95.71 146.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -52.0 105.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 2.0 p30 51.99 32.01 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 45.78 37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.99 118.25 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.461 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 18.6 t -55.66 168.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.749 HG21 HD12 ' A' ' 11' ' ' LEU . 8.7 m -151.18 112.94 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -82.91 -26.27 31.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 37' ' ' THR . 15.9 p -139.46 149.46 44.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.491 ' CB ' HD13 ' A' ' 11' ' ' LEU . 15.7 p -135.26 173.15 12.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' HIS . 10.6 ttm180 -146.77 107.1 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -97.19 146.46 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -155.01 110.63 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.62 65.69 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.56 161.38 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.543 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -80.44 166.12 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 28.3 m95 -140.64 138.82 34.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 61' ' ' VAL . 2.8 t -101.11 128.02 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 60' ' ' TYR . 8.5 m -115.76 117.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -100.04 158.54 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.9 -11.52 24.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.36 169.28 12.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 56' ' ' THR . 2.8 mp0 -81.47 150.25 28.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 60.59 38.58 18.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 54.6 43.45 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 53' ' ' GLU . 82.4 p -101.32 159.53 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.79 -131.85 10.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -96.0 176.3 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -149.57 144.17 26.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.576 ' O ' HG22 ' A' ' 49' ' ' VAL . 7.1 m-85 -137.07 114.64 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.452 HG12 HG22 ' A' ' 48' ' ' VAL . 7.5 m -77.72 163.94 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -140.82 126.7 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.29 161.82 27.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.21 122.27 15.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.35 -157.42 29.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.491 ' H ' ' CD2' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -128.01 112.82 15.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 94.9 m-85 -98.47 102.01 13.26 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.701 0.762 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.0 Cg_endo -69.74 -24.12 30.12 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -143.88 172.88 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.71 -49.34 26.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLY . 38.6 t -39.17 -61.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.31 -36.49 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 30.9 mtp -75.37 -26.41 58.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 109.85 -32.66 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.39 144.38 23.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.49 30.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.272 . . . . 0.0 112.312 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 87.09 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.396 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.04 44.63 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.51 125.67 53.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -109.7 139.77 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -96.11 134.98 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -115.56 -30.78 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.5 p -136.56 152.65 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.564 HD12 ' HB ' ' A' ' 28' ' ' THR . 8.0 mt -125.96 161.22 28.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 27' ' ' THR . 48.4 ttt-85 -150.82 104.11 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.556 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.1 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.489 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.2 tt -129.41 148.63 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -129.24 107.36 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.023 HD12 HG21 ' A' ' 37' ' ' THR . 3.7 mm? -95.76 152.8 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 70.4 m-85 -134.02 117.73 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.4 p -47.71 -49.02 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -96.33 155.75 37.67 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 162.94 40.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 65.49 32.32 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 54.07 44.85 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 78.1 mm-40 -118.5 178.07 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.96 -161.13 29.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -52.24 154.63 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.9 p -147.16 137.43 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -136.98 137.87 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 p -120.95 142.36 49.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -129.18 136.87 50.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -105.68 -32.07 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -105.52 163.09 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.526 HG23 ' HA ' ' A' ' 85' ' ' ARG . 69.9 m -60.32 103.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.737 ' HB ' HD12 ' A' ' 84' ' ' LEU . 53.0 m -86.26 151.05 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 3.9 t -117.96 -26.08 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -133.86 133.97 42.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.514 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 41.6 mm -90.1 144.89 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -50.86 102.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 22.7 t70 57.26 32.06 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.96 37.63 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -56.24 117.67 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.545 ' HA ' HG23 ' A' ' 80' ' ' THR . 47.0 p -52.4 160.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.023 HG21 HD12 ' A' ' 11' ' ' LEU . 54.1 m -145.03 116.38 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -90.24 -34.53 15.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 p -127.55 158.14 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 p -146.9 165.54 29.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -139.88 108.7 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -90.11 128.19 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -140.41 102.81 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 74.89 1.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.42 159.72 35.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.6 m -77.79 164.32 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.489 ' CB ' HD12 ' A' ' 9' ' ' ILE . 28.0 m95 -139.35 136.33 34.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.032 HG22 HG12 ' A' ' 61' ' ' VAL . 54.8 t -104.38 133.36 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 84' ' ' LEU . 5.2 m -119.7 119.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.534 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 2.7 m-85 -103.05 130.93 50.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -17.48 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.9 160.87 15.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HG2' ' CD ' ' A' ' 82' ' ' LYS . 13.3 mm-40 -78.76 156.61 28.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 11.7 m-80 62.59 32.32 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.7 OUTLIER 56.62 45.76 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' GLU . 63.9 p -108.8 170.33 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.9 -137.0 20.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -88.84 169.63 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.534 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 23.0 pt20 -142.97 134.86 26.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.435 ' O ' HG22 ' A' ' 49' ' ' VAL . 8.2 m-85 -129.72 110.37 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.032 HG12 HG22 ' A' ' 48' ' ' VAL . 5.8 m -74.72 163.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -141.04 123.34 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -78.96 155.57 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 1.3 tm-20 -58.47 129.53 42.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.89 -158.03 28.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -121.57 122.72 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.408 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 88.0 m-85 -116.2 102.07 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.75 -35.76 12.1 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.57 170.1 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 75' ' ' CYS . 36.0 mt -66.7 -45.62 78.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.3 t -38.6 -53.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.3 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 27.9 mtp -74.14 -27.93 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.59 -32.26 7.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.489 ' HB2' HD22 ' A' ' 70' ' ' LEU . 98.0 m -53.91 145.79 31.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.55 41.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 84.07 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.47 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.29 121.84 46.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.545 HG23 ' HA ' ' A' ' 36' ' ' SER . 26.7 m -111.05 107.0 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 31' ' ' ILE . 2.1 m-85 -67.23 138.03 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.458 ' CD ' ' HG2' ' A' ' 53' ' ' GLU . 61.6 mttt -118.0 -30.31 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.428 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 60.9 p -134.87 149.24 50.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 49' ' ' VAL . 2.0 mt -124.12 160.8 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' A' ' 27' ' ' THR . 49.9 ttt85 -149.49 110.19 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 5.1 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.515 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.1 tt -111.83 140.08 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -128.09 105.71 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.098 HD12 HG21 ' A' ' 37' ' ' THR . 3.6 mm? -90.86 155.09 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.27 117.21 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -43.84 -51.98 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 25.0 mt-10 -92.04 156.67 42.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 165.64 30.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.626 2.218 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 63.52 32.43 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 53.9 44.7 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 79.4 mt-30 -120.49 178.37 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.32 -158.28 46.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -57.59 149.36 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -135.02 146.43 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -146.39 129.96 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p -112.43 150.33 31.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.445 ' O ' ' CH2' ' A' ' 47' ' ' TRP . 88.9 m-85 -136.99 110.51 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.46 15.96 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -149.54 154.86 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.436 HG23 ' HA ' ' A' ' 85' ' ' ARG . 19.7 m -57.65 103.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.0 m -96.54 153.25 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -117.95 -22.96 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -134.41 141.63 46.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 34.6 mm -97.81 146.47 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -51.96 102.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 55.63 32.04 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 45.4 36.14 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.36 120.38 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.5 p -52.02 154.42 2.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.098 HG21 HD12 ' A' ' 11' ' ' LEU . 84.9 m -141.33 114.75 8.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.86 -33.19 13.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -124.97 166.76 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.5 p -151.52 171.7 17.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -143.59 117.43 9.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -106.49 139.78 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 t -157.72 103.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.26 65.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.32 170.59 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -89.61 165.15 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.526 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.1 m95 -143.04 116.67 9.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.8 HG22 HG12 ' A' ' 61' ' ' VAL . 21.4 t -87.97 135.02 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.674 HG12 HD23 ' A' ' 84' ' ' LEU . 5.6 m -120.74 120.38 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 1.2 m-85 -105.47 118.48 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -10.98 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.99 162.38 18.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 56' ' ' THR . 55.3 mt-10 -82.6 147.88 28.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 61.71 39.63 14.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 58.7 47.88 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 53' ' ' GLU . 69.5 p -113.97 161.27 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.72 -150.61 26.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -75.41 165.48 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 10.6 pt20 -139.88 127.79 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.47 113.89 18.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.8 HG12 HG22 ' A' ' 48' ' ' VAL . 5.5 m -75.14 151.13 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -128.17 122.65 32.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.29 166.41 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.26 125.3 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.48 133.58 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.79 110.29 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 73.3 m-85 -94.27 105.77 19.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.669 0.747 . . . . 0.0 110.972 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.96 5.91 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 57.1 m -141.3 176.52 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.821 HD22 ' HB2' ' A' ' 75' ' ' CYS . 37.0 mt -67.97 -43.68 78.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.7 t -41.85 -57.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.2 66.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 29.7 mtp -74.18 -30.07 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.26 18.79 15.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.821 ' HB2' HD22 ' A' ' 70' ' ' LEU . 71.0 m -101.94 152.5 38.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.467 ' C ' ' H ' ' A' ' 78' ' ' GLY . 54.1 Cg_endo -69.76 161.87 44.27 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 18.11 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 76' ' ' PRO . . . -156.33 55.59 0.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -120.75 134.83 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 102.04 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.454 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 2.8 m-85 -59.04 134.24 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.487 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 82.7 mttt -117.99 -24.51 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.6 p -139.38 154.7 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.674 HD23 HG12 ' A' ' 49' ' ' VAL . 6.1 mt -128.09 161.68 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.436 ' HA ' HG23 ' A' ' 27' ' ' THR . 17.0 ttt180 -150.62 106.2 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.526 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 15.8 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.807 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -128.81 149.75 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.493 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 t60 -130.93 116.08 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 37' ' ' THR . 3.0 mm? -102.34 151.4 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 46.3 m-85 -133.39 112.94 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 t -40.16 -45.24 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 11.4 mt-10 -100.39 158.9 31.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 54.0 Cg_endo -69.78 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 56.57 36.22 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.472 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 51.99 43.45 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 50.7 mt-30 -111.98 178.14 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.93 -155.4 26.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -60.82 156.06 18.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.4 p -147.02 144.49 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -141.99 125.23 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.408 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 37.2 p -106.34 143.53 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.445 ' CD2' HD11 ' A' ' 84' ' ' LEU . 81.1 m-85 -125.7 121.67 34.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -87.54 -35.79 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -113.24 172.63 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 85' ' ' ARG . 88.7 m -60.88 124.67 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.492 ' HB ' HD12 ' A' ' 84' ' ' LEU . 96.2 m -102.81 144.29 31.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.8 p -110.7 -26.35 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -139.42 132.63 29.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.404 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 23.7 mm -89.94 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.03 103.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 55.14 31.98 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 45.0 36.58 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -54.45 117.74 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.627 ' HA ' HG23 ' A' ' 80' ' ' THR . 23.3 p -52.07 164.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.031 HG21 HD12 ' A' ' 11' ' ' LEU . 53.8 m -151.53 116.95 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 10.3 mttm -91.39 -31.54 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -127.25 155.39 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.686 ' SG ' HD13 ' A' ' 62' ' ' LEU . 21.2 p -146.96 164.92 31.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -135.36 102.56 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 62.0 t -86.54 130.23 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 t -156.15 108.97 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.26 -17.98 9.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.491 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 163.14 -170.94 38.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 36.5 m -87.73 158.1 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -144.18 120.14 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.093 HG22 HG12 ' A' ' 61' ' ' VAL . 2.5 t -88.28 112.79 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 81' ' ' PHE . 3.7 m -96.92 110.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 2.4 m-85 -98.85 134.16 42.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.96 -17.18 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.96 164.16 12.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -78.64 153.36 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 65.43 37.3 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HA ' ' CG ' ' A' ' 50' ' ' TYR . 3.3 m-85 52.45 42.87 31.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -99.7 174.98 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.12 -146.78 49.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -71.36 166.17 22.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 14.9 pt20 -143.14 129.97 20.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' O ' HG22 ' A' ' 49' ' ' VAL . 5.2 m-85 -136.42 116.35 13.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.093 HG12 HG22 ' A' ' 48' ' ' VAL . 5.3 m -87.8 145.19 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.686 HD13 ' SG ' ' A' ' 40' ' ' CYS . 13.5 mt -120.42 122.52 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -82.59 168.15 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.96 114.73 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.78 141.05 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.07 118.57 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 98.5 m-85 -108.31 101.97 44.62 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.703 0.763 . . . . 0.0 110.908 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.71 -29.74 23.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.325 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.0 p -133.56 176.97 8.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.85 -47.67 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -41.66 -59.5 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.0 -34.84 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 33.7 mtp -75.48 -27.02 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.87 20.02 22.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.37 154.85 37.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.82 48.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.21 41.05 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.59 108.93 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 36' ' ' SER . 85.4 m -97.7 104.16 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.54 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 3.6 m-85 -62.64 136.83 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -117.83 -24.94 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 p -145.27 151.34 38.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.492 HD12 ' HB ' ' A' ' 28' ' ' THR . 3.4 mt -124.87 159.55 30.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' HA ' HG23 ' A' ' 27' ' ' THR . 31.3 ttt180 -150.14 120.23 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.56 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.9 tt -146.43 130.75 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.444 ' CD2' ' CE1' ' A' ' 12' ' ' PHE . 3.5 t60 -122.73 105.2 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.82 HD12 HG21 ' A' ' 37' ' ' THR . 3.2 mm? -86.59 158.09 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 10' ' ' HIS . 58.2 m-85 -134.29 127.01 30.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -57.09 -45.58 83.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.444 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 32.1 mt-10 -100.46 157.99 32.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 161.9 44.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 64.25 31.99 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 55.14 46.31 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 41.5 mm-40 -117.04 177.62 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.26 -162.51 28.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -59.59 156.05 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.452 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 2.8 m -136.77 159.42 41.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 7.3 mp0 -149.75 119.44 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.422 ' HB2' ' ND1' ' A' ' 10' ' ' HIS . 38.7 t -103.68 151.32 23.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 88.7 m-85 -142.09 104.71 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.86 7.24 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -149.04 173.13 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 84' ' ' LEU . 33.5 m -71.79 112.32 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.725 ' CG2' HD12 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -98.7 158.37 15.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -118.03 -19.51 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -140.51 144.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.403 HG12 ' C ' ' A' ' 82' ' ' LYS . 41.3 mm -100.77 145.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.99 102.35 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 57.09 32.78 22.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 44.67 32.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 22' ' ' GLN . 1.2 p90 -52.06 119.66 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 8.4 t -52.02 161.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.82 HG21 HD12 ' A' ' 11' ' ' LEU . 87.3 m -143.47 116.84 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -95.87 -35.74 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -128.07 155.89 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.556 ' HB2' HD13 ' A' ' 11' ' ' LEU . 20.2 p -145.42 168.24 20.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -136.68 105.03 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 47.4 t -89.96 136.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -157.77 105.91 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 37.92 2.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.472 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 117.49 -173.62 14.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.2 m -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CB ' HD12 ' A' ' 9' ' ' ILE . 36.5 m95 -139.9 134.61 31.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.949 HG22 HG12 ' A' ' 61' ' ' VAL . 40.4 t -106.41 128.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.707 HG12 HD23 ' A' ' 84' ' ' LEU . 6.3 m -114.51 124.4 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 25.2 m-85 -105.3 136.02 45.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.19 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.86 164.07 13.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 56' ' ' THR . 5.1 mm-40 -81.99 149.38 28.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 3.9 m-80 61.69 40.46 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 59.34 46.84 12.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 53' ' ' GLU . 79.3 p -114.52 159.91 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.69 -151.95 25.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.422 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -73.35 175.85 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 21.3 pt20 -146.6 139.74 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.492 ' O ' HG22 ' A' ' 49' ' ' VAL . 13.9 m-85 -135.3 106.39 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.949 HG12 HG22 ' A' ' 48' ' ' VAL . 4.7 m -73.12 161.67 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.451 HD13 ' SG ' ' A' ' 40' ' ' CYS . 10.7 mt -143.03 124.82 15.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -81.6 167.94 18.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.52 116.94 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.94 165.62 23.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -93.5 110.4 21.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.9 m-85 -97.43 104.35 19.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.677 0.751 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -34.85 13.64 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.655 2.236 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -135.54 170.93 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' MET . 20.2 mt -70.35 -46.52 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -38.39 -57.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.1 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 24.8 mtp -81.98 14.37 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.83 18.96 34.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 98.3 m -103.96 150.66 38.49 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 3.72 2.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.91 61.01 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.32 118.99 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.01 104.06 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.62 137.51 58.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' C ' HG12 ' A' ' 31' ' ' ILE . 32.1 mttt -117.56 -26.36 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.6 p -142.8 162.17 36.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.725 HD12 ' CG2' ' A' ' 28' ' ' THR . 2.5 mt -130.06 160.57 33.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -157.12 108.23 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.556 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.1 tt -126.51 147.79 31.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.1 t60 -131.84 107.77 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.971 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -92.25 149.7 21.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 32.1 m-85 -134.42 114.06 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.4 t -43.33 -44.4 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.43 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 71.9 mm-40 -100.45 154.61 37.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 164.41 34.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.95 31.97 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 54.21 46.17 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 68.0 mt-30 -117.73 178.04 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.66 -160.11 15.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -56.11 151.41 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.6 p -145.04 136.19 24.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -136.61 119.91 16.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.7 p -106.54 144.95 32.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -128.41 140.3 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.45 -32.7 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.99 154.0 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.493 HG23 ' HA ' ' A' ' 85' ' ' ARG . 90.3 m -52.22 107.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.771 ' HB ' HD12 ' A' ' 84' ' ' LEU . 19.7 m -92.99 151.74 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.7 t -117.95 -25.95 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -129.94 127.42 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.431 HG12 ' C ' ' A' ' 82' ' ' LYS . 49.8 mm -86.27 144.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.6 102.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 55.6 32.05 18.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 44.94 36.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.8 p90 -57.44 117.02 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.501 ' HA ' HG23 ' A' ' 80' ' ' THR . 59.5 p -53.7 157.65 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.971 HG21 HD12 ' A' ' 11' ' ' LEU . 23.0 m -143.25 124.64 14.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -98.91 -26.07 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' PRO . 51.3 p -135.44 153.89 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.538 ' CB ' HD13 ' A' ' 11' ' ' LEU . 15.3 p -144.34 171.78 13.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -138.99 108.17 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 62' ' ' LEU . 98.3 t -96.03 136.72 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -151.55 109.35 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.69 66.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.61 159.56 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.7 m -78.77 166.77 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.819 ' O ' HD22 ' A' ' 62' ' ' LEU . 34.8 m95 -139.98 130.33 25.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.688 HG22 HG12 ' A' ' 61' ' ' VAL . 96.9 t -103.42 129.65 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.938 HG12 HD23 ' A' ' 84' ' ' LEU . 3.2 m -120.76 120.07 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 4.3 m-85 -99.41 151.45 21.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.15 -16.95 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.72 168.29 13.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -80.7 154.98 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 64.1 m-80 63.61 35.66 11.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 53.81 48.0 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 165.4 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 -152.77 42.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.37 175.68 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 5.2 pt20 -155.9 132.3 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.522 ' HB2' HG23 ' A' ' 49' ' ' VAL . 92.3 m-85 -118.04 111.67 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.688 HG12 HG22 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -89.89 122.33 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.123 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.819 HD22 ' O ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -104.38 123.11 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -79.01 165.23 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.7 110.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.03 128.26 0.94 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -56.22 114.93 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 69.2 m-85 -99.41 101.97 14.83 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.692 0.758 . . . . 0.0 110.933 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 39' ' ' SER . 53.5 Cg_endo -69.76 -31.86 19.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.55 158.99 43.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.835 HD22 ' HB2' ' A' ' 75' ' ' CYS . 41.6 mt -60.56 -42.95 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 66.5 m -37.72 -59.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.06 -37.36 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.458 ' HB3' HD12 ' A' ' 62' ' ' LEU . 34.1 mtp -74.14 -29.97 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.79 22.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.835 ' HB2' HD22 ' A' ' 70' ' ' LEU . 82.0 m -100.35 150.37 36.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 158.53 56.69 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.35 49.07 0.2 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.19 132.76 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' ' 36' ' ' SER . 91.8 m -119.16 103.75 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.41 ' O ' HG13 ' A' ' 31' ' ' ILE . 2.6 m-85 -65.11 140.22 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.431 ' C ' HG12 ' A' ' 31' ' ' ILE . 36.5 mttt -116.63 -29.47 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 p -136.17 145.02 45.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.938 HD23 HG12 ' A' ' 49' ' ' VAL . 3.5 mt -117.56 158.41 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' HG23 ' A' ' 27' ' ' THR . 38.0 ttt85 -151.73 108.28 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.2 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.694 HD12 ' CB ' ' A' ' 47' ' ' TRP . 14.8 tt -124.3 153.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -136.09 106.81 6.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.875 HD12 HG21 ' A' ' 37' ' ' THR . 3.2 mm? -91.05 154.17 19.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -134.14 118.68 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.0 t -49.79 -43.52 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.414 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 38.1 mt-10 -102.93 155.85 36.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.72 163.01 39.82 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 63.65 32.93 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 53.25 45.56 28.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 57.1 mm-40 -116.17 178.58 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 -156.38 23.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -64.03 154.63 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.9 137.42 23.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -130.41 122.66 28.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -105.3 139.91 39.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 51.1 m-85 -126.58 139.35 53.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.86 -33.38 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -103.36 166.12 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.522 HG23 ' HA ' ' A' ' 85' ' ' ARG . 28.4 m -65.06 107.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.581 ' HB ' HD12 ' A' ' 84' ' ' LEU . 62.2 m -94.41 149.97 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -117.97 -18.09 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -136.12 141.83 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.406 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 29.7 mm -107.32 145.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -52.02 102.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 55.09 32.0 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.89 36.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.27 116.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.475 ' HA ' HG23 ' A' ' 80' ' ' THR . 25.8 p -53.95 160.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.875 HG21 HD12 ' A' ' 11' ' ' LEU . 23.6 m -143.9 116.62 8.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 13.3 mtpt -87.77 -29.86 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG2' ' A' ' 37' ' ' THR . 13.2 p -132.87 158.24 43.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -145.8 172.17 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -140.51 119.28 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.539 HG13 ' HD1' ' A' ' 47' ' ' TRP . 59.9 t -105.35 133.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.5 t -148.02 107.53 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.2 66.47 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 104.42 164.02 24.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.8 m -83.14 162.18 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.895 ' O ' HD22 ' A' ' 62' ' ' LEU . 48.8 m95 -135.01 129.2 33.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.662 HG22 HG12 ' A' ' 61' ' ' VAL . 45.1 t -104.86 129.27 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.894 HG12 HD23 ' A' ' 84' ' ' LEU . 3.2 m -119.53 113.01 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 18.2 m-85 -93.25 142.05 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.05 -12.74 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.65 168.98 13.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.443 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -85.03 152.69 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.821 0.344 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 17.3 m-80 63.57 35.19 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 56.92 47.85 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -114.49 143.53 44.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -161.54 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -54.14 175.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.484 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 9.1 pt20 -152.24 130.76 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.465 ' CG ' ' SG ' ' A' ' 75' ' ' CYS . 82.0 m-85 -122.08 107.64 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.662 HG12 HG22 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -88.94 120.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.895 HD22 ' O ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -100.79 123.54 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -74.7 164.06 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.38 116.35 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.69 -146.69 9.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -134.55 106.4 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 83.4 m-85 -98.79 102.04 13.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.699 0.761 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.79 -29.23 24.03 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.4 m -140.23 175.88 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.514 HD21 ' O ' ' A' ' 37' ' ' THR . 32.4 mt -74.23 -44.14 54.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' GLY . 12.3 t -40.07 -64.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.24 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.53 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 27.5 mtp -73.93 -25.31 59.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.5 -30.45 7.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 60' ' ' TYR . 87.6 m -55.06 149.01 26.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.4 24.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 89.03 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.75 43.93 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.39 158.93 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 36' ' ' SER . 96.9 m -139.68 131.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 3.0 m-85 -93.5 139.46 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -116.47 -25.23 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.8 p -143.39 151.31 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.894 HD23 HG12 ' A' ' 49' ' ' VAL . 1.3 mt -124.05 151.52 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.522 ' HA ' HG23 ' A' ' 27' ' ' THR . 19.9 ttm-85 -137.36 109.55 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -125.78 123.97 39.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -147.47 158.58 44.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.09 -127.13 1.06 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -77.66 128.59 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -64.1 153.69 36.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.485 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -130.77 149.07 19.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -163.74 152.51 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.521 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.3 tt -127.31 143.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.796 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t60 -122.56 109.38 14.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.037 HD12 HG21 ' A' ' 37' ' ' THR . 2.5 mm? -96.92 147.53 23.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.796 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 57.6 m-85 -134.09 116.86 15.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 t -46.28 -48.34 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 34.2 mm-40 -95.65 158.16 34.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 163.83 36.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 62.7 33.27 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.48 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 m-85 53.53 45.2 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.427 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 60.7 mt-30 -117.89 178.38 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.57 -143.6 45.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -68.4 154.06 42.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.758 0.313 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -141.79 145.48 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.426 ' CD ' ' CE2' ' A' ' 35' ' ' PHE . 33.1 mt-30 -149.56 122.67 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.9 p -107.71 141.3 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -128.29 117.98 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.14 -30.53 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -113.12 169.78 8.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.478 HG23 ' HA ' ' A' ' 85' ' ' ARG . 60.1 m -61.78 119.77 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.449 ' HB ' HD12 ' A' ' 84' ' ' LEU . 51.9 m -99.55 152.41 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -116.84 -32.09 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -134.27 135.24 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.5 mm -89.58 146.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.03 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.99 32.04 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.1 p 46.89 38.24 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.29 118.05 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 p -53.1 162.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.037 HG21 HD12 ' A' ' 11' ' ' LEU . 51.5 m -145.44 115.01 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -89.33 -38.23 14.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.8 p -125.52 154.02 42.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -143.6 168.89 18.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -140.29 108.62 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.6 t -89.41 142.28 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -154.56 106.83 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.403 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 82.93 82.3 0.92 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.12 161.48 37.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.765 ' CB ' HD12 ' A' ' 87' ' ' ILE . 67.4 m -83.58 165.39 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.521 ' CB ' HD12 ' A' ' 9' ' ' ILE . 43.8 m95 -138.38 130.13 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.063 HG22 HG12 ' A' ' 61' ' ' VAL . 80.1 t -102.44 131.09 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.431 HG12 ' CD2' ' A' ' 84' ' ' LEU . 3.0 m -116.47 118.72 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 2.1 m-85 -103.52 130.22 50.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.04 -16.4 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.98 163.83 12.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' HG3' ' CD ' ' A' ' 82' ' ' LYS . 37.1 mt-10 -79.94 157.15 26.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 62.29 35.68 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.27 43.11 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -107.87 164.45 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.87 -145.21 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -83.03 152.15 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.41 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 8.9 pt20 -126.44 134.94 50.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.426 ' O ' HG22 ' A' ' 49' ' ' VAL . 5.6 m-85 -130.26 107.24 9.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.063 HG12 HG22 ' A' ' 48' ' ' VAL . 9.4 m -74.22 166.72 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -142.87 123.64 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.99 173.09 10.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -73.81 118.22 16.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.65 -164.86 38.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -119.17 114.78 22.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 98.0 m-85 -102.53 102.02 23.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.8 Cg_endo -69.77 -30.74 21.75 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.6 p -136.04 176.5 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.703 HD22 ' HB2' ' A' ' 75' ' ' CYS . 14.1 mt -77.06 -50.37 13.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.1 t -36.58 -55.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.28 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' LEU . 25.2 mtp -75.79 -30.03 58.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -32.93 5.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.703 ' HB2' HD22 ' A' ' 70' ' ' LEU . 11.2 m -52.21 143.84 24.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.03 43.64 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.728 2.285 . . . . 0.0 112.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 89.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.34 44.9 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.6 143.8 32.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.077 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.5 m -128.72 113.1 14.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -77.87 134.8 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.443 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 73.8 mttt -113.3 -31.81 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 p -132.02 157.05 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.449 HD12 ' HB ' ' A' ' 28' ' ' THR . 5.9 mt -134.8 152.84 52.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.478 ' HA ' HG23 ' A' ' 27' ' ' THR . 55.3 ttt180 -140.51 104.67 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.485 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 3.1 t80 -65.51 122.25 16.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.925 HD11 HG23 ' A' ' 48' ' ' VAL . 3.7 mt -101.3 117.2 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' GLY . 26.1 t -70.78 3.64 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' SER . . . 33.86 -96.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 88' ' ' SER . 54.0 Cg_endo -69.74 144.96 55.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.8 t -143.99 126.86 16.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -60.31 -54.79 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -106.28 148.4 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -103.77 146.8 28.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.12 122.4 2.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -103.33 157.77 16.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -107.59 133.77 51.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -109.35 136.97 13.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -157.8 129.67 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.545 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.1 tt -101.71 144.92 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.51 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t60 -127.54 110.39 12.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 37' ' ' THR . 2.8 mm? -96.93 151.48 19.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.51 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 79.0 m-85 -134.15 112.97 11.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.0 t -43.24 -50.41 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 10.8 mt-10 -94.8 158.45 35.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 164.7 33.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 60.99 32.67 19.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.47 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 54.65 45.88 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.425 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 31.3 mt-30 -117.47 178.21 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.04 -154.24 44.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -59.42 148.72 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 p -138.06 141.8 40.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.449 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 81.0 mt-30 -144.67 126.87 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.2 p -111.27 147.9 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -130.18 133.64 46.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -103.5 -33.56 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.08 165.34 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 85' ' ' ARG . 93.2 m -55.84 112.49 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.597 ' HB ' HD12 ' A' ' 84' ' ' LEU . 52.2 m -89.62 149.72 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.3 p -117.93 -30.34 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -137.58 131.25 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 47.1 mm -86.18 145.33 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -52.02 102.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 56.03 32.0 19.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 p 45.42 38.08 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -56.01 118.1 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 p -52.48 162.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.02 HG21 HD12 ' A' ' 11' ' ' LEU . 29.0 m -147.47 116.5 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -90.38 -29.87 17.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 p -133.48 153.86 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.45 172.65 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -143.99 113.11 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.77 135.31 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -149.86 106.15 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 85.97 84.83 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' HA2' ' N ' ' A' ' 90' ' ' PRO . . . 87.59 162.27 37.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.488 ' HB2' HD12 ' A' ' 87' ' ' ILE . 65.0 m -82.37 163.82 21.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.578 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.8 m95 -139.33 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.859 ' CG2' HD11 ' A' ' 87' ' ' ILE . 12.9 t -100.46 130.06 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 60' ' ' TYR . 4.7 m -115.17 121.34 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 24.6 m-85 -103.04 142.12 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.54 -12.53 59.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.07 166.92 12.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.94 150.99 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 66.47 39.15 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 55.06 42.39 30.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.2 p -106.9 169.09 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.34 -163.76 50.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -70.33 143.39 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -116.23 142.05 47.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.466 ' O ' HG22 ' A' ' 49' ' ' VAL . 3.4 m-85 -134.95 104.46 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.604 HG12 HG22 ' A' ' 48' ' ' VAL . 3.9 m -69.15 161.5 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -142.54 122.91 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -81.66 164.27 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -60.05 124.94 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.54 -171.45 40.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -115.39 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.475 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 97.5 m-85 -100.05 102.0 16.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.682 0.753 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.3 Cg_endo -69.82 -29.7 23.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.29 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.18 170.53 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 73' ' ' MET . 51.4 mt -67.13 -48.19 68.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 22.2 t -38.04 -60.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -37.49 17.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 25.3 mtp -75.28 -27.5 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.15 -33.97 5.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 56.4 m -55.46 151.65 19.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.09 54.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 84.81 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.07 42.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.68 162.08 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.1 m -141.02 124.24 16.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -87.9 135.57 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -110.92 -32.82 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.421 ' O ' HD23 ' A' ' 84' ' ' LEU . 85.0 p -135.8 168.03 20.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.597 HD12 ' HB ' ' A' ' 28' ' ' THR . 3.9 mt -142.32 157.96 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 27' ' ' THR . 16.6 ttt85 -145.27 104.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 3.3 t80 -69.18 111.37 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.859 HD11 ' CG2' ' A' ' 48' ' ' VAL . 9.4 mt -89.74 103.77 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 t -54.99 104.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.29 114.17 3.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.423 ' N ' ' HA2' ' A' ' 45' ' ' GLY . 54.3 Cg_endo -69.78 3.03 3.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.364 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t -97.68 169.42 9.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 t -116.89 110.16 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -71.45 -56.07 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.2 p -150.86 159.99 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.77 50.91 0.17 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 m -86.69 -44.32 11.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.376 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -46.01 -27.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 161.7 137.31 2.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -157.78 135.95 10.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.706 0.288 . . . . 0.0 110.94 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.511 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.4 tt -111.58 137.17 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.575 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.2 t60 -121.96 107.76 12.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.992 HD12 HG21 ' A' ' 37' ' ' THR . 3.3 mm? -94.97 151.43 19.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 33.1 m-85 -134.5 118.11 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.8 p -49.57 -35.09 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 59.1 mm-40 -109.58 157.77 36.53 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.634 0.731 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 162.33 42.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 62.35 34.45 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.7 m-85 52.1 44.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 73.0 mt-30 -113.64 178.19 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -156.99 30.52 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -61.99 144.23 55.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.814 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.0 p -136.49 143.75 43.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -141.19 135.19 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -117.75 149.16 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 70.5 m-85 -133.26 138.74 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -109.03 -28.12 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -109.86 163.25 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.5 m -59.1 102.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.5 m -87.81 146.61 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.2 t -117.9 -23.63 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -131.86 137.96 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 20.1 mm -100.46 146.25 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.0 102.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.6 t0 56.5 32.05 20.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 p 46.09 38.02 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -57.92 116.88 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' HG23 ' A' ' 80' ' ' THR . 73.8 m -57.24 162.47 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.992 HG21 HD12 ' A' ' 11' ' ' LEU . 17.6 m -142.07 117.96 10.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -88.3 -27.5 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 p -138.26 153.94 49.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.596 ' CB ' HD13 ' A' ' 11' ' ' LEU . 13.3 p -144.95 167.89 21.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -139.5 111.43 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' A' ' 62' ' ' LEU . 85.9 t -99.31 140.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.5 114.16 4.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.423 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 89.73 58.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 106.65 159.34 21.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.501 ' C ' HD12 ' A' ' 87' ' ' ILE . 65.6 m -79.77 165.22 23.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.511 ' CB ' HD12 ' A' ' 9' ' ' ILE . 30.2 m95 -141.65 134.16 28.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.027 HG23 HD11 ' A' ' 87' ' ' ILE . 97.0 t -104.08 137.18 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.601 HG12 HD23 ' A' ' 84' ' ' LEU . 4.5 m -122.6 120.57 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -100.18 135.94 40.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -69.98 -15.68 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.66 168.98 14.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' THR . 18.4 mm-40 -85.25 153.82 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.459 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 28.8 m-80 64.93 34.15 9.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER 55.54 45.95 23.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' GLU . 66.1 p -105.41 176.74 5.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.33 -143.12 38.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -85.3 163.25 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -131.59 137.2 48.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -130.93 117.66 19.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.023 HG12 HG22 ' A' ' 48' ' ' VAL . 10.7 m -82.77 166.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 42' ' ' VAL . 8.0 mt -141.85 124.62 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -72.76 162.92 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.73 120.71 15.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.6 -174.86 36.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.61 ' H ' ' CD2' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -103.49 121.46 42.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 95.7 m-85 -109.71 102.03 48.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.704 0.764 . . . . 0.0 110.952 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.75 -28.72 24.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 p -138.02 175.44 9.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.61 -47.89 29.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -39.28 -57.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.81 -37.86 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 mtp -74.76 -29.68 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.61 -34.39 5.16 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 64.8 m -52.1 149.41 9.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.8 33.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 86.51 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.386 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.51 41.39 0.36 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.74 123.96 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 36' ' ' SER . 51.9 m -108.46 118.57 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -80.94 137.76 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -117.9 -27.44 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -141.96 145.18 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 49' ' ' VAL . 2.3 mt -119.13 161.03 21.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -148.09 109.19 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.485 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 8.8 t80 -68.7 112.28 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.027 HD11 HG23 ' A' ' 48' ' ' VAL . 3.1 mt -92.07 103.39 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -64.07 104.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.22 -103.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.49 2.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.623 2.216 . . . . 0.0 112.381 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.5 m -85.11 -59.87 2.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -120.33 104.04 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 p 52.02 40.09 27.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -69.12 153.35 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.82 52.27 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -65.58 -57.86 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -159.97 165.16 32.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . -92.26 144.63 17.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -156.45 137.45 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.666 HD12 ' CB ' ' A' ' 47' ' ' TRP . 13.4 tt -116.43 141.75 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.585 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -126.64 109.22 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.777 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -97.27 152.46 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 38.4 m-85 -134.74 116.38 14.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 t -45.7 -49.54 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.62 157.17 35.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.07 28.84 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 62.52 31.94 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 52.13 43.44 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -117.01 178.36 4.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.39 48.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -59.55 153.26 20.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.2 p -139.15 139.58 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -142.18 119.95 11.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -108.77 143.52 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -128.66 107.86 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.65 -33.91 64.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -115.17 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.597 HG23 ' HA ' ' A' ' 85' ' ' ARG . 31.3 m -57.01 143.74 36.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.62 ' HB ' HD12 ' A' ' 84' ' ' LEU . 55.3 m -121.77 148.58 44.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.6 p -114.97 -31.15 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -138.74 120.15 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 48.9 mm -71.77 144.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.96 102.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.0 t0 56.68 31.99 20.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 p 46.15 34.94 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.5 p90 -55.25 116.26 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.8 t -53.28 163.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.777 HG21 HD12 ' A' ' 11' ' ' LEU . 70.2 m -150.24 126.42 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -98.57 -29.58 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -130.77 155.39 46.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' A' ' 62' ' ' LEU . 17.8 p -147.05 169.7 18.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -141.09 114.96 9.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.5 t -101.53 138.56 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -156.79 111.09 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.44 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 92.75 56.92 1.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.2 161.08 21.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.558 ' CB ' HD12 ' A' ' 87' ' ' ILE . 58.7 m -80.76 165.43 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.666 ' CB ' HD12 ' A' ' 9' ' ' ILE . 37.0 m95 -139.85 129.79 24.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG22 HD11 ' A' ' 87' ' ' ILE . 3.5 t -95.02 123.9 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 60' ' ' TYR . 2.8 m -112.39 113.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 4.2 m-85 -101.74 143.7 31.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -86.78 17.21 4.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.72 151.04 22.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 56' ' ' THR . 29.9 mt-10 -65.84 150.52 48.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 62.45 35.19 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 53.41 41.67 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 53' ' ' GLU . 73.2 p -97.79 172.44 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.19 -128.07 10.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -100.52 166.11 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 pt20 -137.18 140.53 41.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.559 ' O ' HG22 ' A' ' 49' ' ' VAL . 21.4 m-85 -137.22 119.5 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.61 151.65 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.781 HD13 ' SG ' ' A' ' 40' ' ' CYS . 23.8 mt -127.77 122.77 33.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.44 175.88 8.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -73.64 118.83 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.38 155.34 7.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.433 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.418 ' H ' ' CD2' ' A' ' 66' ' ' HIS . 7.9 p80 -81.96 105.67 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -93.12 106.47 19.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.729 0.776 . . . . 0.0 110.944 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -32.82 17.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.6 t -137.9 172.75 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 73' ' ' MET . 46.5 mt -70.23 -45.24 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -37.8 -53.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.08 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' LEU . 28.8 mtp -75.29 -29.61 60.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.82 -34.4 5.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 23.1 m -52.64 154.21 4.92 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.77 20.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 111.67 2.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.29 43.01 5.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.55 139.03 30.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -118.96 108.38 14.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.76 140.37 47.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.435 ' C ' HG12 ' A' ' 31' ' ' ILE . 26.0 mttt -117.48 -34.94 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.8 p -133.85 148.8 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.62 HD12 ' HB ' ' A' ' 28' ' ' THR . 6.3 mt -124.51 155.47 38.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.597 ' HA ' HG23 ' A' ' 27' ' ' THR . 40.0 ttt180 -142.32 106.06 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.5 t80 -74.03 111.85 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.569 HD11 HG22 ' A' ' 48' ' ' VAL . 4.2 mt -90.35 103.61 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.0 p -60.21 101.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.476 ' N ' ' HD2' ' A' ' 90' ' ' PRO . . . -77.01 -59.7 3.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 89' ' ' GLY . 53.6 Cg_endo -69.74 11.6 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 89' ' ' GLY . 87.0 p -52.8 129.7 30.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.9 t -82.65 -53.5 5.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.468 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 t -138.25 113.45 9.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -83.63 -50.12 8.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.58 -104.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 p 52.14 38.93 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -113.43 -23.1 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 86' ' ' PHE . . . 88.3 130.34 3.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.464 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -157.7 133.22 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.762 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.1 tt -119.36 144.87 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.794 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 6.7 t60 -136.34 118.64 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.736 HD23 ' HE1' ' A' ' 24' ' ' PHE . 2.5 mm? -103.2 153.04 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.794 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 98.9 m-85 -131.95 112.58 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -42.28 -49.7 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 15.8 mt-10 -96.73 156.84 36.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 163.3 38.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 64.79 32.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.435 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 4.1 m-85 54.54 46.61 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 92.0 mm-40 -121.67 177.64 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.34 -161.05 48.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -52.89 155.63 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -136.58 140.0 42.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -146.91 120.07 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.1 p -110.26 151.52 27.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.736 ' HE1' HD23 ' A' ' 11' ' ' LEU . 34.0 m-85 -130.67 138.08 49.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -104.6 -32.22 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -118.42 169.16 9.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' ' 85' ' ' ARG . 23.6 m -56.57 112.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.518 ' HB ' HD12 ' A' ' 84' ' ' LEU . 60.7 m -93.26 149.24 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 p -117.75 -25.99 6.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 143.4 50.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 32' ' ' ASP . 43.4 mm -107.4 154.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' ILE . 1.9 t0 -52.05 101.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.75 31.98 1.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.0 p 56.59 35.89 26.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -54.78 116.22 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -56.54 153.37 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.622 HG21 HD12 ' A' ' 11' ' ' LEU . 50.6 m -134.99 127.61 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -101.02 -34.62 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -126.89 153.87 45.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.712 ' SG ' HD13 ' A' ' 62' ' ' LEU . 20.1 p -144.2 171.95 13.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -142.44 110.42 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 98.7 t -100.21 135.88 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -157.92 109.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.35 35.96 4.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.485 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 124.35 163.8 11.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.439 ' CB ' HD12 ' A' ' 87' ' ' ILE . 49.1 m -80.93 164.99 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.762 ' CB ' HD12 ' A' ' 9' ' ' ILE . 34.0 m95 -142.5 130.34 21.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.002 HG22 HG12 ' A' ' 61' ' ' VAL . 25.9 t -101.97 128.8 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.732 HG12 HD23 ' A' ' 84' ' ' LEU . 13.2 m -115.24 118.41 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.419 ' HD1' ' HG ' ' A' ' 83' ' ' SER . 1.5 m-85 -100.8 138.2 38.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -14.25 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.3 163.02 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 56' ' ' THR . 8.0 mm-40 -76.56 151.31 36.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 65.1 38.38 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 53.31 42.37 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' GLU . 82.6 p -102.25 174.92 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.93 -150.74 48.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -79.43 148.63 31.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 5.0 pp0? -121.17 142.24 50.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -136.81 115.2 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.002 HG12 HG22 ' A' ' 48' ' ' VAL . 16.7 m -82.29 163.95 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.712 HD13 ' SG ' ' A' ' 40' ' ' CYS . 25.2 mt -139.05 123.97 18.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.66 168.55 19.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.44 116.68 6.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.14 158.75 9.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -85.81 111.73 20.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 97.4 m-85 -97.94 102.06 12.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 66' ' ' HIS . 54.0 Cg_endo -69.71 -31.57 20.48 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.41 174.0 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.448 HD22 ' HB2' ' A' ' 75' ' ' CYS . 19.2 mt -74.01 -49.08 26.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 74' ' ' GLY . 6.4 t -38.16 -61.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.2 -37.33 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 70' ' ' LEU . 30.4 mtp -75.02 -29.7 60.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 99.53 18.71 22.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.448 ' HB2' HD22 ' A' ' 70' ' ' LEU . 28.1 m -97.69 151.73 37.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.578 0.704 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.8 33.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 110.75 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.25 40.35 5.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.31 140.92 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -126.74 122.32 34.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 1.5 m-85 -81.47 139.51 35.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -117.99 -29.81 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.419 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 51.7 p -139.0 151.0 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.732 HD23 HG12 ' A' ' 49' ' ' VAL . 6.8 mt -126.61 155.38 42.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.583 ' HA ' HG23 ' A' ' 27' ' ' THR . 50.5 ttt180 -143.5 103.89 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 6.1 t80 -67.44 111.68 4.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.98 HD11 HG23 ' A' ' 48' ' ' VAL . 7.2 mt -91.03 102.08 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -62.84 108.16 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.11 -120.84 4.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.359 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.3 t -80.91 -54.74 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.9 m 59.74 42.23 17.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 p -41.92 -54.14 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.821 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -75.06 125.43 28.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.73 48.7 4.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -78.25 151.96 32.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -134.21 128.69 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . -177.55 144.67 6.75 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.415 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.49 ' NE2' ' HG3' ' A' ' 25' ' ' GLU . 35.8 tt0 -157.92 135.5 10.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.944 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.532 ' HB ' ' CD2' ' A' ' 47' ' ' TRP . 20.3 tt -113.9 137.1 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -123.54 110.29 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.862 HD12 HG21 ' A' ' 37' ' ' THR . 2.6 mm? -98.16 150.83 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CG ' ' HA ' ' A' ' 17' ' ' PHE . 9.3 m-85 -134.21 114.24 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -43.77 -42.25 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -102.62 155.19 36.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.627 0.727 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 162.56 41.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 66.28 32.04 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.448 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.6 m-85 52.83 45.44 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -119.42 178.05 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.09 -158.01 38.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -58.01 134.5 56.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.9 p -126.13 136.83 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.92 121.0 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.5 p -109.28 145.34 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -127.12 121.92 32.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.49 ' HG3' ' NE2' ' A' ' 8' ' ' GLN . 29.6 mt-10 -86.73 -36.32 18.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.63 171.05 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 84' ' ' LEU . 84.0 m -59.64 133.26 55.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.5 m -115.05 148.63 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.8 p -112.33 -31.07 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -135.68 142.64 45.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 50.5 mm -96.36 145.74 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 102.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t0 57.21 32.04 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.2 p 46.05 35.57 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 1.4 p90 -56.24 116.98 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.477 ' HA ' HG23 ' A' ' 80' ' ' THR . 20.0 m -52.36 164.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.862 HG21 HD12 ' A' ' 11' ' ' LEU . 66.0 m -146.59 118.48 8.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -92.41 -37.61 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -123.86 158.13 32.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.507 ' HB2' HD13 ' A' ' 11' ' ' LEU . 14.0 p -146.04 172.0 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.03 113.2 7.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.72 136.27 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 t -156.06 110.52 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.482 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 89.79 70.97 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.81 162.77 32.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.525 ' CB ' HD12 ' A' ' 87' ' ' ILE . 59.4 m -80.45 163.62 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 34.3 m95 -140.19 122.53 15.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.86 ' CG2' HD11 ' A' ' 87' ' ' ILE . 6.5 t -94.33 127.03 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 60' ' ' TYR . 3.5 m -111.09 118.86 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.416 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -110.69 126.34 54.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.964 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.26 12.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.68 146.76 16.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 56' ' ' THR . 43.3 mt-10 -67.75 143.14 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 67.85 32.47 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 56.93 44.16 23.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 53' ' ' GLU . 43.4 p -106.84 163.95 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.29 -133.54 11.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -100.23 147.99 25.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 1.7 pm0 -120.35 142.33 49.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.49 ' O ' HG22 ' A' ' 49' ' ' VAL . 3.3 m-85 -136.96 108.35 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.622 HG12 HG22 ' A' ' 48' ' ' VAL . 5.5 m -71.03 168.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.497 HD13 ' SG ' ' A' ' 40' ' ' CYS . 32.1 mt -145.83 124.14 12.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.96 169.94 17.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.5 114.64 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.11 170.23 31.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.461 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -95.03 115.33 27.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.403 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 99.3 m-85 -98.75 101.96 13.55 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.632 0.73 . . . . 0.0 110.968 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -33.2 17.07 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.1 p -137.29 174.07 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 75' ' ' CYS . 16.2 mt -72.44 -43.69 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -40.42 -61.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.41 -38.03 18.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.403 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 31.0 mtp -74.11 -28.54 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.39 -32.81 6.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.412 ' HB2' HD22 ' A' ' 70' ' ' LEU . 17.1 m -55.03 147.75 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.85 44.33 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 81.62 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.254 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.56 44.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.72 55.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.477 HG23 ' HA ' ' A' ' 36' ' ' SER . 92.5 m -112.7 113.84 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -71.44 142.98 50.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -117.89 -35.57 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.5 p -136.48 153.71 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 49' ' ' VAL . 6.7 mt -126.74 163.07 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -149.75 106.56 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 2.1 t80 -72.25 111.74 7.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.86 HD11 ' CG2' ' A' ' 48' ' ' VAL . 6.3 mt -90.23 102.2 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.19 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.7 t -57.91 103.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.83 140.99 7.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -179.69 3.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.5 t -139.31 140.1 37.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.9 t -137.09 104.22 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -64.94 -50.18 67.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -51.41 -42.76 61.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.83 124.49 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -121.02 120.72 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -62.62 166.18 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.52 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -95.3 151.09 19.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -164.02 154.19 14.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 47' ' ' TRP . 12.2 tt -128.44 154.47 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.7 t60 -139.7 109.98 6.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 37' ' ' THR . 2.5 mm? -98.65 152.6 19.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 86.5 m-85 -134.16 113.6 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -41.58 -49.58 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 44.4 mm-40 -96.41 157.61 35.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 166.04 28.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 60.76 31.96 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.9 m-85 55.4 45.54 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 27.2 mm100 -115.86 178.2 4.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.25 -158.1 31.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -52.97 159.36 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.6 p -147.18 141.14 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -144.29 123.53 12.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.5 p -108.33 140.94 40.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HB2' HG22 ' A' ' 9' ' ' ILE . 44.6 m-85 -128.61 134.48 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -106.56 -33.13 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -105.78 171.52 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.7 m -64.43 106.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 m -86.81 147.56 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -114.71 -30.82 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -132.76 142.51 49.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.21 147.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.07 102.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.78 32.0 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 p 46.18 33.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.2 p90 -52.34 118.04 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 34.5 m -52.04 158.51 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.735 HG21 HD12 ' A' ' 11' ' ' LEU . 98.2 m -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -100.7 -35.47 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.2 p -127.82 154.81 45.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.689 ' SG ' HD13 ' A' ' 62' ' ' LEU . 14.7 p -145.86 172.82 12.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' HIS . 6.8 ttm180 -141.91 108.58 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.06 142.53 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.77 116.0 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.91 62.03 1.63 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 161.54 24.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.8 m -79.1 164.74 24.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CB ' HD12 ' A' ' 9' ' ' ILE . 29.0 m95 -141.58 128.66 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.05 HG23 HD11 ' A' ' 87' ' ' ILE . 92.5 t -99.91 128.18 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' A' ' 84' ' ' LEU . 4.4 m -112.73 120.64 63.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -103.9 146.85 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -82.8 -18.11 41.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.08 161.11 13.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 40.2 mt-10 -77.17 152.95 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.437 ' ND2' ' C ' ' A' ' 53' ' ' GLU . 1.2 m-80 66.58 33.75 6.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 54.2 41.55 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.1 p -101.95 168.13 9.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.05 -140.64 23.31 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -89.01 161.92 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.42 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 17.2 pt20 -132.15 144.21 50.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -136.99 105.28 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.973 HG12 HG22 ' A' ' 48' ' ' VAL . 3.3 m -72.84 151.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.689 HD13 ' SG ' ' A' ' 40' ' ' CYS . 29.0 mt -129.21 122.68 30.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.87 176.08 8.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.47 113.26 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.59 157.05 10.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.506 ' H ' ' CD2' ' A' ' 66' ' ' HIS . 5.4 p80 -81.02 111.52 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 73' ' ' MET . 97.4 m-85 -98.46 102.08 13.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.0 Cg_endo -69.77 -36.43 10.79 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 6.4 t -135.42 169.77 16.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 73' ' ' MET . 37.3 mt -70.11 -44.46 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 t -36.29 -61.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.85 -35.12 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.582 ' HG2' ' CD1' ' A' ' 67' ' ' TYR . 14.8 mtm -76.51 -30.31 57.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.6 -29.55 11.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 33.0 m -53.79 151.89 10.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.89 40.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 91.87 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.37 43.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.02 114.06 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.3 m -98.18 120.41 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 2.7 m-85 -83.26 138.36 33.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -117.94 -31.67 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.2 p -137.12 153.76 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.436 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.9 mt -129.95 156.28 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -142.43 104.79 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.52 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 4.4 t80 -67.29 110.67 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.05 HD11 HG23 ' A' ' 48' ' ' VAL . 4.8 mt -89.32 103.78 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.2 p -58.44 102.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.38 138.56 0.2 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 5.22 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -61.49 -57.1 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.4 m -149.56 150.45 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 t -41.84 -54.82 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -124.88 164.72 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.79 123.4 5.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p -107.06 154.04 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.482 ' O ' ' CE2' ' A' ' 86' ' ' PHE . 65.3 p -109.81 17.98 20.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.458 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 93.08 129.88 5.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -151.46 173.43 14.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.591 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.0 tt -150.67 135.45 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.4 t60 -122.93 117.7 26.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.818 HD12 HG21 ' A' ' 37' ' ' THR . 1.5 mm? -102.2 155.51 18.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 21' ' ' SER . 69.8 m-85 -134.24 113.86 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -43.7 -45.63 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 36.3 mt-10 -100.58 156.07 35.63 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 165.4 31.13 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.651 2.234 . . . . 0.0 112.374 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 62.51 32.39 16.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 54.11 46.8 24.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 91.0 mt-30 -118.09 177.88 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.63 -161.06 23.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -60.25 149.3 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.488 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 78.1 p -147.5 144.73 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -132.93 156.12 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.421 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 11.1 p -130.15 138.4 50.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -131.41 133.19 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.19 -33.02 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -105.11 162.54 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.56 HG23 ' HA ' ' A' ' 85' ' ' ARG . 58.0 m -59.93 106.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 m -94.03 151.24 19.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.465 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -117.96 -21.46 8.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 29' ' ' SER . 22.2 mp0 -129.19 148.05 51.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.0 mm -113.61 145.98 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.29 102.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.0 t70 55.82 31.98 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 43.96 38.3 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 36' ' ' SER . 0.7 OUTLIER -57.14 118.69 5.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.558 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 28.4 p -52.05 163.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.818 HG21 HD12 ' A' ' 11' ' ' LEU . 33.7 m -145.67 110.14 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -85.82 -33.51 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 p -129.36 150.83 50.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.536 ' HB2' HD13 ' A' ' 11' ' ' LEU . 20.2 p -142.62 169.02 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -141.7 105.98 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.88 149.33 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -158.03 105.71 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 87.37 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.44 162.03 30.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -77.7 164.61 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CB ' HD12 ' A' ' 9' ' ' ILE . 25.9 m95 -140.32 134.17 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 61' ' ' VAL . 17.8 t -100.79 137.65 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 60' ' ' TYR . 9.2 m -125.01 114.27 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 9.7 m-85 -100.15 150.34 22.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.98 17.91 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.63 143.15 13.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.78 144.62 56.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 68.04 34.48 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 83' ' ' SER . 6.4 m-85 56.74 47.96 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.8 p -107.92 155.79 19.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.58 -132.79 11.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -98.75 169.23 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.58 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 7.9 pt20 -138.94 140.61 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.615 ' O ' HG22 ' A' ' 49' ' ' VAL . 8.4 m-85 -137.06 111.97 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.721 HG12 HG22 ' A' ' 48' ' ' VAL . 16.0 m -73.23 166.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD13 ' SG ' ' A' ' 40' ' ' CYS . 8.4 mt -144.9 125.55 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -76.15 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.22 115.68 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 170.71 -162.18 35.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -119.38 118.55 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 96.4 m-85 -108.97 101.94 46.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.682 0.753 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.77 -29.33 23.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.2 m -138.56 170.97 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 ' HB2' ' A' ' 75' ' ' CYS . 46.5 mt -70.93 -47.46 58.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' LEU . 36.2 t -37.37 -62.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.26 -37.25 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.7 mtp -76.04 -26.95 57.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.74 -32.34 7.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.43 ' HB2' HD22 ' A' ' 70' ' ' LEU . 89.9 m -53.65 150.45 13.29 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.847 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 163.15 39.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 93.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.14 48.83 0.47 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.88 138.7 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.0 m -121.16 107.84 13.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.458 ' CE2' ' HB ' ' A' ' 37' ' ' THR . 3.6 m-85 -69.26 137.38 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -118.01 -28.67 5.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.492 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 51.1 p -141.28 145.05 35.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.0 mt -119.62 157.3 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HA ' HG23 ' A' ' 27' ' ' THR . 36.5 ttt180 -143.35 108.12 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.3 t80 -77.49 106.08 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.635 HD11 ' CG2' ' A' ' 48' ' ' VAL . 6.2 mt -83.71 102.7 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.2 p -60.76 105.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -91.83 -113.98 1.96 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.1 p -146.69 170.73 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.0 p -59.27 147.68 34.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -89.21 -56.96 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -82.9 142.93 31.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.95 112.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -92.23 141.57 28.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -49.93 -23.86 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.532 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -145.56 162.24 28.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -157.52 132.2 8.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.56 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.1 tt -117.7 137.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 3.0 t60 -126.93 108.78 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -93.65 155.21 17.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 77.2 m-85 -133.87 117.77 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -46.56 -45.35 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.43 156.42 35.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.4 Cg_endo -69.81 165.85 29.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 62.48 33.82 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 52.54 41.57 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -115.41 178.93 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.14 -160.66 26.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -56.88 149.15 19.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.3 p -143.25 141.27 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -137.03 139.17 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.434 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 19.6 p -117.37 142.48 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.536 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 78.5 m-85 -127.97 109.18 11.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.71 -34.24 58.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -115.73 171.11 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.598 HG23 ' HA ' ' A' ' 85' ' ' ARG . 38.2 m -58.25 133.45 55.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 m -108.29 151.02 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -113.13 -32.58 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -141.59 126.14 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 42.3 mm -77.15 145.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.02 102.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.18 31.96 17.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 45.26 39.79 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -55.72 117.17 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 p -52.21 158.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.828 HG21 HD12 ' A' ' 11' ' ' LEU . 58.5 m -147.31 121.48 9.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 11.3 mttm -96.45 -32.03 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 p -125.25 155.27 40.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.3 p -143.01 172.01 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -145.42 113.39 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -101.38 140.46 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -157.69 108.92 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 91.48 58.31 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.45 163.89 21.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.671 ' CB ' HD12 ' A' ' 87' ' ' ILE . 58.3 m -84.33 165.56 18.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 32.6 m95 -140.6 134.93 31.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 87' ' ' ILE . 3.3 t -99.22 137.52 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 60' ' ' TYR . 4.9 m -125.26 113.75 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.469 ' HD1' ' HG ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -100.63 142.59 31.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.14 -13.43 59.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -111.03 163.58 12.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.47 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 56' ' ' THR . 15.1 mt-10 -79.49 153.69 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 54' ' ' ASN . 1.7 m-80 62.82 36.26 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 56.53 47.39 18.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 53' ' ' GLU . 81.0 p -107.57 159.44 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.79 -152.47 31.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -77.61 153.18 33.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 7.6 pt20 -125.45 136.89 53.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.627 ' O ' HG22 ' A' ' 49' ' ' VAL . 12.3 m-85 -129.76 114.1 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 48' ' ' VAL . 11.2 m -78.13 165.08 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.4 mt -138.63 123.25 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -81.73 163.22 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.33 111.47 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.81 156.12 10.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.34 110.8 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 103.12 14.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 110.92 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.26 17.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 56.3 m -139.26 177.64 7.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 75' ' ' CYS . 14.1 mt -72.18 -47.92 47.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.4 t -37.53 -59.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.7 -37.81 52.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 23.8 mtp -74.5 -29.78 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.88 -33.74 5.73 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.563 ' HB2' HD22 ' A' ' 70' ' ' LEU . 28.2 m -52.34 152.05 6.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 160.89 48.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 90.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.69 43.25 0.46 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.79 148.83 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.5 m -130.36 108.11 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.402 ' O ' HG13 ' A' ' 31' ' ' ILE . 1.4 m-85 -71.44 136.59 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.435 ' CD ' ' HG3' ' A' ' 53' ' ' GLU . 37.2 mttt -114.96 -30.21 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.469 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 24.8 p -135.95 153.78 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.536 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 12.0 mt -128.73 156.47 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.598 ' HA ' HG23 ' A' ' 27' ' ' THR . 62.5 ttt-85 -145.88 102.6 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.581 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.8 t80 -66.62 110.47 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.671 HD12 ' CB ' ' A' ' 46' ' ' SER . 5.3 mt -85.33 102.06 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.3 p -62.97 104.85 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.92 -113.96 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 100.26 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -105.23 176.33 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.7 t -77.03 123.98 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 52.48 41.5 30.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -70.49 -49.83 44.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.6 41.9 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -86.13 122.31 29.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m -65.92 138.49 57.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -99.71 157.16 19.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -157.99 125.48 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.536 HD12 ' CB ' ' A' ' 47' ' ' TRP . 14.1 tt -102.87 149.67 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.708 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -135.95 106.05 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -100.87 143.21 31.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.708 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 33.0 m-85 -124.57 115.64 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -39.54 -48.64 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 5.5 mm-40 -97.02 155.29 37.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 63.65 33.28 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 53.34 44.81 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 66.7 mt-30 -118.49 177.8 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.03 -158.83 29.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -54.06 153.19 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 p -145.43 140.26 27.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -142.71 131.84 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 p -113.96 143.81 44.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 62.7 m-85 -126.86 130.5 50.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.98 -32.2 10.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 170.13 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -58.75 124.02 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -103.61 145.13 30.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 p -112.08 -26.49 8.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -141.86 124.76 16.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.44 HG12 ' C ' ' A' ' 82' ' ' LYS . 46.2 mm -83.11 150.58 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -52.02 103.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t70 53.2 32.01 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 44.85 35.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -52.05 121.89 7.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.7 m -51.99 147.42 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.799 HG21 HD12 ' A' ' 11' ' ' LEU . 85.7 m -126.04 111.33 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -93.94 -36.34 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.8 p -125.93 151.37 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.626 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 31.6 p -142.87 168.78 18.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -145.55 102.03 3.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.3 137.58 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -152.34 104.12 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.493 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 95.15 67.21 1.0 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.95 167.02 28.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.506 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 m -85.17 163.05 18.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 27.2 m95 -140.0 125.94 19.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.098 HG23 HD11 ' A' ' 87' ' ' ILE . 58.8 t -98.47 122.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.46 ' HB ' ' CG ' ' A' ' 81' ' ' PHE . 4.2 m -105.57 121.63 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' CZ ' ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -109.82 126.53 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.53 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.9 t70 -80.25 14.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -129.43 125.31 4.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 11.9 mt-10 -51.99 147.41 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 29.0 m-80 64.73 35.83 8.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 83' ' ' SER . 17.3 m-85 52.94 43.32 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -105.32 162.17 13.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.23 -136.32 14.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -95.97 170.18 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.486 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 15.6 pt20 -138.97 135.45 34.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -130.77 116.27 17.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.044 HG12 HG22 ' A' ' 48' ' ' VAL . 10.5 m -78.7 167.67 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -146.59 123.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -81.64 160.66 23.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.58 122.77 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.64 157.44 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -83.28 121.01 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.626 ' HD2' ' HG ' ' A' ' 40' ' ' CYS . 83.4 m-85 -106.15 102.02 37.61 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.689 0.757 . . . . 0.0 110.934 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -34.45 14.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.59 173.64 11.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 37' ' ' THR . 40.7 mt -73.8 -47.57 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 t -39.77 -54.26 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.63 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.498 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 24.2 mtp -75.31 -29.23 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.78 -35.6 4.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.3 m -52.47 155.44 3.7 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 160.69 48.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.38 49.43 0.52 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.5 155.78 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.0 m -134.47 110.6 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.46 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 5.2 m-85 -78.89 135.52 37.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HD3' ' C ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -112.4 -28.66 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.542 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 52.3 p -137.15 155.1 49.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.0 mt -131.97 165.39 24.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -152.25 102.15 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 3.4 t80 -66.4 107.86 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.098 HD11 HG23 ' A' ' 48' ' ' VAL . 7.8 mt -84.28 102.02 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.2 p -60.92 102.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.15 121.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 173.24 11.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.7 m -79.8 124.63 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.4 m -95.87 144.4 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.447 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -66.3 -56.45 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 t -145.38 132.49 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.57 128.75 7.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -89.06 -46.19 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -114.12 163.8 14.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.812 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -97.55 149.56 19.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.457 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -151.46 149.53 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 24' ' ' PHE . 19.4 tt -126.41 143.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.795 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 1.6 t60 -129.16 110.45 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.854 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -101.66 146.3 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.795 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 10.2 m-85 -134.13 112.59 11.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -38.71 -44.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 18.5 mt-10 -99.26 155.66 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' CG ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.81 166.75 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.15 32.19 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 2.7 m-85 54.57 47.02 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 23.9 mm100 -120.77 177.79 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.38 -157.89 46.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -52.21 136.36 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 p -120.23 137.11 54.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.57 119.77 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.0 p -116.74 141.4 48.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 9' ' ' ILE . 15.4 m-85 -125.18 139.87 53.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 -36.27 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -100.68 167.55 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.411 HG23 ' HA ' ' A' ' 85' ' ' ARG . 28.1 m -62.02 108.03 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -88.71 147.68 24.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -110.7 -32.97 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -132.93 145.9 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.402 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 43.7 mm -102.98 151.28 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.01 103.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 51.52 32.09 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 p 48.53 39.03 12.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.1 p90 -59.8 117.95 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.442 ' HA ' HG23 ' A' ' 80' ' ' THR . 27.8 p -51.93 157.4 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.854 HG21 HD12 ' A' ' 11' ' ' LEU . 74.9 m -126.58 116.14 20.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CG ' ' HD3' ' A' ' 15' ' ' PRO . 1.7 mmpt? -85.97 -38.46 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.3 p -135.09 159.53 41.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.99 168.14 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -144.46 102.95 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 62' ' ' LEU . 88.3 t -96.06 138.79 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 t -157.87 104.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.436 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 101.92 53.34 0.97 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.46 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.03 175.2 19.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.47 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.504 ' C ' HD12 ' A' ' 87' ' ' ILE . 45.7 m -91.24 165.04 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 43.4 m95 -145.99 115.62 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG22 HG12 ' A' ' 61' ' ' VAL . 90.3 t -90.64 131.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.482 HG12 ' CD2' ' A' ' 84' ' ' LEU . 7.0 m -115.93 121.47 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -102.31 130.59 49.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.38 -15.3 63.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.17 159.63 13.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -76.89 156.22 32.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 66.26 32.12 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 51.87 48.04 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -111.67 170.5 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.76 -144.47 28.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -79.65 155.96 27.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.43 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 16.7 pt20 -130.3 137.58 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -134.0 115.38 14.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.037 HG12 HG22 ' A' ' 48' ' ' VAL . 3.0 m -83.8 146.96 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HB2' HG21 ' A' ' 42' ' ' VAL . 6.8 mt -119.89 122.95 42.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.01 175.6 9.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -74.74 114.59 13.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.54 142.08 3.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -70.13 111.31 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 93.7 m-85 -96.65 103.92 16.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.736 0.779 . . . . 0.0 110.891 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.75 -34.31 14.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.742 2.294 . . . . 0.0 112.325 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 5.8 t -134.42 170.49 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 36.1 mt -73.5 -46.71 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.7 m -38.46 -53.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' LEU . 26.9 mtp -74.9 -30.18 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.45 -33.87 5.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.408 ' HB2' HD22 ' A' ' 70' ' ' LEU . 16.4 m -52.15 144.07 22.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 158.41 57.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 94.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.85 43.16 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.1 130.27 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.442 HG23 ' HA ' ' A' ' 36' ' ' SER . 85.1 m -113.55 113.9 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -72.72 137.97 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -117.73 -33.23 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.3 p -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.482 ' CD2' HG12 ' A' ' 49' ' ' VAL . 4.1 mt -122.72 156.19 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.411 ' HA ' HG23 ' A' ' 27' ' ' THR . 33.4 ttp180 -141.78 112.7 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.58 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 12.4 t80 -81.22 105.33 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.912 HD11 HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -94.32 103.51 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.6 p -57.04 105.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -86.18 -71.37 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 0.02 6.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.284 . . . . 0.0 112.367 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.1 m -122.88 132.91 54.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -77.13 106.32 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -68.73 -47.12 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -99.58 124.52 44.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.1 88.38 0.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 m -77.89 -60.45 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -84.33 105.97 15.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . -49.55 164.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -142.28 125.21 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.715 0.293 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.7 tt -111.89 137.47 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.503 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 2.3 t60 -124.49 109.66 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.905 HD12 HG21 ' A' ' 37' ' ' THR . 2.7 mm? -93.43 154.53 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -133.0 119.37 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -50.28 -49.86 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.96 157.63 34.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.84 33.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 62.59 32.22 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 52.36 42.0 30.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.74 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.06 -142.95 46.91 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -75.3 155.74 36.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -146.67 138.97 24.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -139.29 120.78 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.503 ' HB3' ' CG ' ' A' ' 10' ' ' HIS . 28.1 p -110.67 143.88 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CD1' HD11 ' A' ' 84' ' ' LEU . 54.2 m-85 -123.97 103.74 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.89 -39.0 90.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' CD ' ' O ' ' A' ' 27' ' ' THR . 2.9 pp20? -110.39 177.82 4.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' CD ' ' A' ' 26' ' ' GLU . 96.9 m -58.58 146.0 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.3 m -123.27 146.8 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -110.62 -32.17 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -143.22 135.12 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 35.0 mm -88.56 147.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.04 102.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 54.13 32.07 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 p 45.85 37.41 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.7 p90 -52.4 115.43 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -52.19 149.29 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.905 HG21 HD12 ' A' ' 11' ' ' LEU . 26.9 m -133.95 112.09 10.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -85.14 -28.42 25.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.2 p -135.9 150.97 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' CB ' HD13 ' A' ' 11' ' ' LEU . 18.0 p -138.93 172.48 12.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -143.91 105.91 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 95.7 t -94.4 127.12 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.6 t -149.11 103.74 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.487 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 115.54 33.56 1.57 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.493 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.3 178.7 16.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.482 ' HB2' HD12 ' A' ' 87' ' ' ILE . 19.8 m -86.68 162.69 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.48 ' CB ' HD12 ' A' ' 9' ' ' ILE . 41.8 m95 -145.31 126.66 14.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.081 HG22 HG12 ' A' ' 61' ' ' VAL . 55.4 t -97.98 122.49 49.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.645 HG12 ' CD2' ' A' ' 84' ' ' LEU . 11.3 m -109.33 125.93 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 5.3 m-85 -104.45 142.45 34.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.28 17.83 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.46 141.18 10.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -58.97 146.52 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 66.98 36.01 4.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 54.24 39.15 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.3 p -101.6 160.63 14.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.96 -128.72 9.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -99.5 175.59 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.458 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 6.7 pt20 -143.88 137.63 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -135.96 110.26 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.081 HG12 HG22 ' A' ' 48' ' ' VAL . 4.8 m -76.43 162.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -143.21 125.43 15.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.99 166.35 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.04 114.72 2.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.37 156.52 10.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.67 112.77 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.408 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 92.3 m-85 -100.6 102.04 17.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.693 0.759 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.1 Cg_endo -69.74 -26.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.7 p -140.62 177.18 8.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' MET . 30.8 mt -77.34 -52.43 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' GLY . 22.8 t -35.03 -64.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.32 -37.2 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 32.1 mtp -74.4 -29.39 61.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.52 -34.0 5.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.5 m -52.0 158.06 1.9 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.725 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 54.1 Cg_endo -69.68 170.11 17.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.6 48.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.725 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -97.89 134.12 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -123.51 109.65 14.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.99 134.86 53.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -117.99 -32.32 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.9 p -140.47 150.83 44.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.645 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.5 mt -121.44 165.28 15.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 ttt-85 -156.27 107.31 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -71.37 105.49 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.482 HD12 ' HB2' ' A' ' 46' ' ' SER . 5.3 mt -66.76 -69.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.9 p -168.67 162.35 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.485 ' HA2' ' CA ' ' A' ' 45' ' ' GLY . . . -116.64 -168.72 15.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.89 3.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 2.286 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.0 p -94.49 113.83 25.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -52.98 -49.04 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.54 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -63.97 -43.74 94.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.374 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 t -156.99 157.63 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.28 -151.09 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -63.83 155.94 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -145.18 157.58 44.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.51 163.97 30.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -144.51 138.77 27.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 tt -128.34 147.16 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -126.22 108.16 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 37' ' ' THR . 2.9 mm? -97.93 148.2 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 2.6 m-85 -134.14 126.09 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.7 t -54.57 -42.53 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 49.5 mm-40 -101.68 156.22 35.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 53.4 Cg_endo -69.74 165.73 29.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 62.6 33.61 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 52.45 43.85 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.424 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 75.4 mt-30 -118.16 178.95 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.31 -153.01 46.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -53.41 151.41 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.5 p -139.18 135.02 33.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' OE1' ' CE2' ' A' ' 35' ' ' PHE . 13.5 mt-30 -143.45 119.15 10.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -110.84 140.5 45.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.416 ' CD2' HD11 ' A' ' 84' ' ' LEU . 87.5 m-85 -122.83 122.15 37.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -88.02 -34.2 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -116.41 173.82 6.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.653 HG23 ' HA ' ' A' ' 85' ' ' ARG . 34.3 m -56.74 135.26 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.7 m -116.19 146.44 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t -117.98 -20.83 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -137.56 148.12 45.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 mm -112.71 148.01 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.46 102.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.45 31.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 p 55.2 38.47 30.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -53.88 116.53 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 24.2 p -54.4 162.04 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.783 HG21 HD12 ' A' ' 11' ' ' LEU . 96.3 m -146.79 122.32 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -97.62 -28.33 13.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.2 p -130.18 154.4 47.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 20.6 p -145.63 162.38 37.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -141.83 101.98 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 48.1 t -84.29 141.67 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m -157.96 106.32 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.52 31.57 2.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 119.06 -170.59 13.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 m -92.08 162.32 14.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -142.44 124.86 15.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.758 HG22 HG12 ' A' ' 61' ' ' VAL . 21.2 t -96.02 124.36 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 60' ' ' TYR . 9.7 m -109.07 127.09 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -110.23 128.68 55.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.18 59.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.56 150.98 17.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' CG ' ' HD3' ' A' ' 82' ' ' LYS . 39.1 mt-10 -71.2 154.08 41.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 3.0 m-80 67.38 34.0 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.5 OUTLIER 55.16 44.22 28.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.0 p -108.74 176.79 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.0 -148.34 44.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -76.5 175.59 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 18.9 pt20 -146.98 137.72 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.566 ' O ' HG22 ' A' ' 49' ' ' VAL . 2.8 m-85 -134.46 111.07 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.758 HG12 HG22 ' A' ' 48' ' ' VAL . 4.1 m -75.79 161.73 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -140.55 123.21 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.44 158.34 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.04 113.72 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.79 -175.18 46.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -108.46 111.74 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.8 m-85 -100.73 102.08 18.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.701 0.762 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.82 -33.33 16.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -138.0 171.88 13.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.67 -45.98 60.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 t -41.27 -53.8 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.8 -36.33 67.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.526 ' HG2' ' CG ' ' A' ' 67' ' ' TYR . 27.1 mtp -76.11 -25.86 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.16 -32.88 6.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.0 m -52.06 146.78 14.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.61 18.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 3.19 2.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.84 54.13 0.67 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.449 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.27 129.8 56.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.0 m -126.96 107.19 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.24 133.34 55.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 64.6 mttt -117.62 -24.87 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -149.26 150.18 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' A' ' 49' ' ' VAL . 5.0 mt -121.96 161.48 22.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.653 ' HA ' HG23 ' A' ' 27' ' ' THR . 49.3 ttt180 -156.87 109.88 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 88' ' ' SER . 23.0 t80 -69.02 127.13 32.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.85 -68.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 86' ' ' PHE . 28.5 t -169.12 166.91 10.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.48 ' HA2' ' CA ' ' A' ' 45' ' ' GLY . . . -92.77 -172.22 40.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.22 8.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 p -104.99 146.99 28.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.4 m -124.52 122.64 38.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 55.14 42.16 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -129.51 170.28 13.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.62 -42.21 55.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -73.98 -52.08 13.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 110.918 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m -67.76 148.3 51.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -90.61 139.95 15.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' C ' ' OE1' ' A' ' 8' ' ' GLN . 4.2 tm0? -154.62 132.3 11.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.508 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.8 tt -114.23 136.97 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.7 t60 -125.91 113.14 16.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.749 HD12 HG21 ' A' ' 37' ' ' THR . 2.6 mm? -96.97 151.01 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.63 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 31.1 m-85 -134.39 118.41 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -50.73 -44.51 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 14.9 mm-40 -97.55 155.45 37.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.58 41.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 63.2 33.46 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 52.43 44.98 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.428 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 77.0 mt-30 -114.0 179.07 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.62 -154.27 35.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -65.4 139.11 58.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.3 p -135.19 148.08 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.413 HE22 ' CB ' ' A' ' 32' ' ' ASP . 35.9 mt-30 -137.69 158.11 45.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.9 p -136.3 139.52 42.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -127.41 103.72 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.17 -35.03 75.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -115.44 172.17 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 85' ' ' ARG . 86.5 m -56.49 145.3 28.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.564 ' HB ' HD12 ' A' ' 84' ' ' LEU . 53.3 m -126.56 147.92 49.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 p -111.13 -31.57 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -133.35 139.67 46.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.7 mm -95.71 146.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -52.0 105.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 2.0 p30 51.99 32.01 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 p 45.78 37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -57.99 118.25 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.461 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 18.6 t -55.66 168.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.749 HG21 HD12 ' A' ' 11' ' ' LEU . 8.7 m -151.18 112.94 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -82.91 -26.27 31.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 37' ' ' THR . 15.9 p -139.46 149.46 44.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.491 ' CB ' HD13 ' A' ' 11' ' ' LEU . 15.7 p -135.26 173.15 12.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' HIS . 10.6 ttm180 -146.77 107.1 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -97.19 146.46 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -155.01 110.63 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.62 65.69 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.56 161.38 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.543 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.469 ' CB ' HD12 ' A' ' 87' ' ' ILE . 49.2 m -80.44 166.12 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 28.3 m95 -140.64 138.82 34.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.629 HG22 HD11 ' A' ' 87' ' ' ILE . 2.8 t -101.11 128.02 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 60' ' ' TYR . 8.5 m -115.76 117.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -100.04 158.54 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.9 -11.52 24.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.36 169.28 12.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 56' ' ' THR . 2.8 mp0 -81.47 150.25 28.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 60.59 38.58 18.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 54.6 43.45 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 53' ' ' GLU . 82.4 p -101.32 159.53 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.79 -131.85 10.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -96.0 176.3 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -149.57 144.17 26.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' O ' HG22 ' A' ' 49' ' ' VAL . 7.1 m-85 -137.07 114.64 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.452 HG12 HG22 ' A' ' 48' ' ' VAL . 7.5 m -77.72 163.94 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -140.82 126.7 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.29 161.82 27.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.21 122.27 15.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.35 -157.42 29.76 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.491 ' H ' ' CD2' ' A' ' 66' ' ' HIS . 0.2 OUTLIER -128.01 112.82 15.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 94.9 m-85 -98.47 102.01 13.26 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.701 0.762 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 54.0 Cg_endo -69.74 -24.12 30.12 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -143.88 172.88 12.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.71 -49.34 26.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLY . 38.6 t -39.17 -61.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.31 -36.49 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 30.9 mtp -75.37 -26.41 58.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 109.85 -32.66 6.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.39 144.38 23.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.49 30.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.272 . . . . 0.0 112.312 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 87.09 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.396 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.04 44.63 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.51 125.67 53.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.5 m -109.7 139.77 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -96.11 134.98 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -115.56 -30.78 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.5 p -136.56 152.65 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.564 HD12 ' HB ' ' A' ' 28' ' ' THR . 8.0 mt -125.96 161.22 28.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 27' ' ' THR . 48.4 ttt-85 -150.82 104.11 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.556 ' HB2' ' CH2' ' A' ' 47' ' ' TRP . 4.1 t80 -63.94 111.18 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.629 HD11 HG22 ' A' ' 48' ' ' VAL . 3.8 mt -88.22 102.06 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.2 t -66.75 105.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -97.45 -121.23 4.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.33 50.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 p -141.34 170.35 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.4 p -124.5 146.72 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -79.6 -60.75 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -152.32 161.74 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 91' ' ' SER . . . -137.19 51.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p 51.9 35.99 17.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' GLY . 6.5 t 55.14 44.79 27.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.549 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -34.25 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -162.52 155.75 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.489 HD12 ' CB ' ' A' ' 47' ' ' TRP . 17.2 tt -129.41 148.63 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.0 t60 -129.24 107.36 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.023 HD12 HG21 ' A' ' 37' ' ' THR . 3.7 mm? -95.76 152.8 18.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 70.4 m-85 -134.02 117.73 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.4 p -47.71 -49.02 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -96.33 155.75 37.67 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 162.94 40.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 65.49 32.32 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 54.07 44.85 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 78.1 mm-40 -118.5 178.07 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.96 -161.13 29.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -52.24 154.63 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.9 p -147.16 137.43 23.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -136.98 137.87 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 p -120.95 142.36 49.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -129.18 136.87 50.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -105.68 -32.07 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -105.52 163.09 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.526 HG23 ' HA ' ' A' ' 85' ' ' ARG . 69.9 m -60.32 103.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.737 ' HB ' HD12 ' A' ' 84' ' ' LEU . 53.0 m -86.26 151.05 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 3.9 t -117.96 -26.08 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -133.86 133.97 42.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.514 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 41.6 mm -90.1 144.89 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -50.86 102.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 22.7 t70 57.26 32.06 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.96 37.63 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -56.24 117.67 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.545 ' HA ' HG23 ' A' ' 80' ' ' THR . 47.0 p -52.4 160.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.023 HG21 HD12 ' A' ' 11' ' ' LEU . 54.1 m -145.03 116.38 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -90.24 -34.53 15.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 p -127.55 158.14 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.0 p -146.9 165.54 29.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -139.88 108.7 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -90.11 128.19 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -140.41 102.81 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 74.89 1.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.42 159.72 35.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.507 ' C ' HD12 ' A' ' 87' ' ' ILE . 70.6 m -77.79 164.32 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.491 ' N ' HD12 ' A' ' 87' ' ' ILE . 28.0 m95 -139.35 136.33 34.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.077 HG23 HD11 ' A' ' 87' ' ' ILE . 54.8 t -104.38 133.36 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 84' ' ' LEU . 5.2 m -119.7 119.58 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.534 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 2.7 m-85 -103.05 130.93 50.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -17.48 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.9 160.87 15.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HG2' ' CD ' ' A' ' 82' ' ' LYS . 13.3 mm-40 -78.76 156.61 28.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 11.7 m-80 62.59 32.32 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 29' ' ' SER . 0.7 OUTLIER 56.62 45.76 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' GLU . 63.9 p -108.8 170.33 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.9 -137.0 20.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -88.84 169.63 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.534 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 23.0 pt20 -142.97 134.86 26.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.435 ' O ' HG22 ' A' ' 49' ' ' VAL . 8.2 m-85 -129.72 110.37 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.032 HG12 HG22 ' A' ' 48' ' ' VAL . 5.8 m -74.72 163.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 mt -141.04 123.34 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -78.96 155.57 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 1.3 tm-20 -58.47 129.53 42.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.89 -158.03 28.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -121.57 122.72 40.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.408 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 88.0 m-85 -116.2 102.07 53.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.75 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.6 Cg_endo -69.75 -35.76 12.1 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.57 170.1 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 75' ' ' CYS . 36.0 mt -66.7 -45.62 78.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.3 t -38.6 -53.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.3 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 27.9 mtp -74.14 -27.93 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.59 -32.26 7.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.489 ' HB2' HD22 ' A' ' 70' ' ' LEU . 98.0 m -53.91 145.79 31.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.55 41.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 84.07 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.47 44.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.29 121.84 46.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.545 HG23 ' HA ' ' A' ' 36' ' ' SER . 26.7 m -111.05 107.0 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.156 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 31' ' ' ILE . 2.1 m-85 -67.23 138.03 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.458 ' CD ' ' HG2' ' A' ' 53' ' ' GLU . 61.6 mttt -118.0 -30.31 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.428 ' HG ' ' HD1' ' A' ' 50' ' ' TYR . 60.9 p -134.87 149.24 50.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 49' ' ' VAL . 2.0 mt -124.12 160.8 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' A' ' 27' ' ' THR . 49.9 ttt85 -149.49 110.19 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.549 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 5.1 t80 -68.52 112.38 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.077 HD11 HG23 ' A' ' 48' ' ' VAL . 3.9 mt -93.59 105.49 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 m -64.21 102.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.74 -133.45 3.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -18.21 36.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.443 ' HB3' ' C ' ' A' ' 4' ' ' GLY . 66.6 m -52.0 112.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.9 p -151.15 118.15 5.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -68.03 153.38 43.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -79.42 127.96 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.78 68.63 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 p -95.52 -44.46 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.594 ' O ' ' CZ ' ' A' ' 86' ' ' PHE . 58.7 p -81.46 -22.66 37.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 73.95 140.53 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -157.91 134.95 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.515 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.1 tt -111.83 140.08 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -128.09 105.71 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.098 HD12 HG21 ' A' ' 37' ' ' THR . 3.6 mm? -90.86 155.09 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.27 117.21 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -43.84 -51.98 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 25.0 mt-10 -92.04 156.67 42.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 165.64 30.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.626 2.218 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 63.52 32.43 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 53.9 44.7 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 79.4 mt-30 -120.49 178.37 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.32 -158.28 46.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -57.59 149.36 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -135.02 146.43 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -146.39 129.96 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.3 p -112.43 150.33 31.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.445 ' O ' ' CH2' ' A' ' 47' ' ' TRP . 88.9 m-85 -136.99 110.51 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.46 15.96 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -149.54 154.86 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.436 HG23 ' HA ' ' A' ' 85' ' ' ARG . 19.7 m -57.65 103.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.0 m -96.54 153.25 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -117.95 -22.96 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -134.41 141.63 46.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 34.6 mm -97.81 146.47 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -51.96 102.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 55.63 32.04 18.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 p 45.4 36.14 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.36 120.38 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 49.5 p -52.02 154.42 2.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.098 HG21 HD12 ' A' ' 11' ' ' LEU . 84.9 m -141.33 114.75 8.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.86 -33.19 13.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -124.97 166.76 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.5 p -151.52 171.7 17.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -143.59 117.43 9.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -106.49 139.78 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 t -157.72 103.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.483 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 94.26 65.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.32 170.59 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.67 ' HB2' HD12 ' A' ' 87' ' ' ILE . 53.3 m -89.61 165.15 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.526 ' CH2' ' HB2' ' A' ' 86' ' ' PHE . 42.1 m95 -143.04 116.67 9.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.8 HG22 HG12 ' A' ' 61' ' ' VAL . 21.4 t -87.97 135.02 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.674 HG12 HD23 ' A' ' 84' ' ' LEU . 5.6 m -120.74 120.38 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 1.2 m-85 -105.47 118.48 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -10.98 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.99 162.38 18.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 56' ' ' THR . 55.3 mt-10 -82.6 147.88 28.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 61.71 39.63 14.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 58.7 47.88 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 53' ' ' GLU . 69.5 p -113.97 161.27 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.72 -150.61 26.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -75.41 165.48 25.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 10.6 pt20 -139.88 127.79 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -124.47 113.89 18.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.8 HG12 HG22 ' A' ' 48' ' ' VAL . 5.5 m -75.14 151.13 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -128.17 122.65 32.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.29 166.41 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.26 125.3 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.48 133.58 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.79 110.29 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 73.3 m-85 -94.27 105.77 19.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.669 0.747 . . . . 0.0 110.972 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.96 5.91 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 57.1 m -141.3 176.52 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.821 HD22 ' HB2' ' A' ' 75' ' ' CYS . 37.0 mt -67.97 -43.68 78.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.7 t -41.85 -57.49 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.2 66.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 29.7 mtp -74.18 -30.07 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.26 18.79 15.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.821 ' HB2' HD22 ' A' ' 70' ' ' LEU . 71.0 m -101.94 152.5 38.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' C ' ' H ' ' A' ' 78' ' ' GLY . 54.1 Cg_endo -69.76 161.87 44.27 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 18.11 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 76' ' ' PRO . . . -156.33 55.59 0.4 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -120.75 134.83 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 102.04 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.454 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 2.8 m-85 -59.04 134.24 56.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.487 ' HD3' ' CG ' ' A' ' 53' ' ' GLU . 82.7 mttt -117.99 -24.51 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.6 p -139.38 154.7 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.674 HD23 HG12 ' A' ' 49' ' ' VAL . 6.1 mt -128.09 161.68 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.436 ' HA ' HG23 ' A' ' 27' ' ' THR . 17.0 ttt180 -150.62 106.2 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 6' ' ' SER . 15.8 t80 -73.55 107.71 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.67 HD12 ' HB2' ' A' ' 46' ' ' SER . 6.7 mt -77.25 -41.53 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.513 ' O ' ' C ' ' A' ' 89' ' ' GLY . 5.7 t 66.43 47.96 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 88' ' ' SER . . . -29.07 -84.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.1 37.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.67 2.246 . . . . 0.0 112.311 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.5 p -155.53 170.17 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.5 m -127.02 125.77 41.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.499 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -156.17 125.33 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -71.36 -54.25 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.97 -153.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.9 p -69.96 124.21 23.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.789 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -82.17 102.08 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.95 171.21 3.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -144.46 138.16 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.336 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -128.81 149.75 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.493 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.3 t60 -130.93 116.08 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 37' ' ' THR . 3.0 mm? -102.34 151.4 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 46.3 m-85 -133.39 112.94 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 t -40.16 -45.24 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 11.4 mt-10 -100.39 158.9 31.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 54.0 Cg_endo -69.78 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 56.57 36.22 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.472 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 1.5 m-85 51.99 43.45 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 50.7 mt-30 -111.98 178.14 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.93 -155.4 26.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -60.82 156.06 18.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.4 p -147.02 144.49 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -141.99 125.23 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.408 ' HB3' ' ND1' ' A' ' 10' ' ' HIS . 37.2 p -106.34 143.53 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.445 ' CD2' HD11 ' A' ' 84' ' ' LEU . 81.1 m-85 -125.7 121.67 34.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -87.54 -35.79 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -113.24 172.63 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 85' ' ' ARG . 88.7 m -60.88 124.67 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.492 ' HB ' HD12 ' A' ' 84' ' ' LEU . 96.2 m -102.81 144.29 31.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.8 p -110.7 -26.35 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -139.42 132.63 29.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.404 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 23.7 mm -89.94 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.03 103.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t0 55.14 31.98 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 45.0 36.58 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.4 p90 -54.45 117.74 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.627 ' HA ' HG23 ' A' ' 80' ' ' THR . 23.3 p -52.07 164.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.031 HG21 HD12 ' A' ' 11' ' ' LEU . 53.8 m -151.53 116.95 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 10.3 mttm -91.39 -31.54 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 p -127.25 155.39 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.686 ' SG ' HD13 ' A' ' 62' ' ' LEU . 21.2 p -146.96 164.92 31.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -135.36 102.56 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 62.0 t -86.54 130.23 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 t -156.15 108.97 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.26 -17.98 9.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.491 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 163.14 -170.94 38.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.523 ' HB2' ' CG1' ' A' ' 87' ' ' ILE . 36.5 m -87.73 158.1 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.835 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -144.18 120.14 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.093 HG22 HG12 ' A' ' 61' ' ' VAL . 2.5 t -88.28 112.79 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 81' ' ' PHE . 3.7 m -96.92 110.57 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 2.4 m-85 -98.85 134.16 42.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.96 -17.18 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.96 164.16 12.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -78.64 153.36 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 65.43 37.3 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HA ' ' CG ' ' A' ' 50' ' ' TYR . 3.3 m-85 52.45 42.87 31.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -99.7 174.98 5.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.12 -146.78 49.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -71.36 166.17 22.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 14.9 pt20 -143.14 129.97 20.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.444 ' O ' HG22 ' A' ' 49' ' ' VAL . 5.2 m-85 -136.42 116.35 13.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.093 HG12 HG22 ' A' ' 48' ' ' VAL . 5.3 m -87.8 145.19 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.686 HD13 ' SG ' ' A' ' 40' ' ' CYS . 13.5 mt -120.42 122.52 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -82.59 168.15 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.96 114.73 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.78 141.05 3.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.07 118.57 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CD1' ' HG3' ' A' ' 73' ' ' MET . 98.5 m-85 -108.31 101.97 44.62 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.703 0.763 . . . . 0.0 110.908 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.71 -29.74 23.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.325 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.0 p -133.56 176.97 8.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.85 -47.67 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -41.66 -59.5 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.0 -34.84 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 33.7 mtp -75.48 -27.02 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.87 20.02 22.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.37 154.85 37.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.82 48.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 90.63 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.21 41.05 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.59 108.93 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 36' ' ' SER . 85.4 m -97.7 104.16 16.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.54 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 3.6 m-85 -62.64 136.83 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -117.83 -24.94 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 p -145.27 151.34 38.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD12 ' HB ' ' A' ' 28' ' ' THR . 3.4 mt -124.87 159.55 30.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' HA ' HG23 ' A' ' 27' ' ' THR . 31.3 ttt180 -150.14 120.23 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -80.45 129.59 34.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.93 HD11 HG23 ' A' ' 48' ' ' VAL . 1.4 mm -93.95 -70.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -169.03 161.34 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -82.61 166.95 45.93 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.49 24.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.739 2.292 . . . . 0.0 112.302 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 p -93.65 -39.77 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.4 t -48.7 -44.2 37.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.441 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -126.55 173.84 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 p -132.28 108.21 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.34 -101.95 0.36 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m 57.28 45.1 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -82.92 16.7 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.74 150.7 0.23 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -153.43 151.6 30.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.56 HD12 ' CB ' ' A' ' 47' ' ' TRP . 19.9 tt -146.43 130.75 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.444 ' CD2' ' CE1' ' A' ' 12' ' ' PHE . 3.5 t60 -122.73 105.2 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.82 HD12 HG21 ' A' ' 37' ' ' THR . 3.2 mm? -86.59 158.09 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 10' ' ' HIS . 58.2 m-85 -134.29 127.01 30.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -57.09 -45.58 83.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.444 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 32.1 mt-10 -100.46 157.99 32.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.704 0.764 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 161.9 44.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 64.25 31.99 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 55.14 46.31 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 41.5 mm-40 -117.04 177.62 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.26 -162.51 28.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -59.59 156.05 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.452 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 2.8 m -136.77 159.42 41.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 7.3 mp0 -149.75 119.44 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.422 ' HB2' ' ND1' ' A' ' 10' ' ' HIS . 38.7 t -103.68 151.32 23.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 88.7 m-85 -142.09 104.71 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -85.86 7.24 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -149.04 173.13 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 84' ' ' LEU . 33.5 m -71.79 112.32 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.725 ' CG2' HD12 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -98.7 158.37 15.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -118.03 -19.51 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -140.51 144.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.403 HG12 ' C ' ' A' ' 82' ' ' LYS . 41.3 mm -100.77 145.48 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.99 102.35 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 57.09 32.78 22.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 p 44.67 32.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 22' ' ' GLN . 1.2 p90 -52.06 119.66 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 8.4 t -52.02 161.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.82 HG21 HD12 ' A' ' 11' ' ' LEU . 87.3 m -143.47 116.84 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -95.87 -35.74 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -128.07 155.89 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.556 ' HB2' HD13 ' A' ' 11' ' ' LEU . 20.2 p -145.42 168.24 20.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -136.68 105.03 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 45' ' ' GLY . 47.4 t -89.96 136.86 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -157.77 105.91 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.8 37.92 2.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.501 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 117.49 -173.62 14.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.2 m -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.56 ' CB ' HD12 ' A' ' 9' ' ' ILE . 36.5 m95 -139.9 134.61 31.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.949 HG22 HG12 ' A' ' 61' ' ' VAL . 40.4 t -106.41 128.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.707 HG12 HD23 ' A' ' 84' ' ' LEU . 6.3 m -114.51 124.4 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 25.2 m-85 -105.3 136.02 45.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.19 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.86 164.07 13.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 56' ' ' THR . 5.1 mm-40 -81.99 149.38 28.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 3.9 m-80 61.69 40.46 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 59.34 46.84 12.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 53' ' ' GLU . 79.3 p -114.52 159.91 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.69 -151.95 25.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.422 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -73.35 175.85 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 21.3 pt20 -146.6 139.74 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.492 ' O ' HG22 ' A' ' 49' ' ' VAL . 13.9 m-85 -135.3 106.39 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.949 HG12 HG22 ' A' ' 48' ' ' VAL . 4.7 m -73.12 161.67 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.451 HD13 ' SG ' ' A' ' 40' ' ' CYS . 10.7 mt -143.03 124.82 15.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -81.6 167.94 18.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.52 116.94 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.94 165.62 23.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -93.5 110.4 21.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CG ' ' HG2' ' A' ' 73' ' ' MET . 98.9 m-85 -97.43 104.35 19.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.677 0.751 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -34.85 13.64 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.655 2.236 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.5 t -135.54 170.93 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' MET . 20.2 mt -70.35 -46.52 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -38.39 -57.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.1 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 24.8 mtp -81.98 14.37 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.83 18.96 34.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 98.3 m -103.96 150.66 38.49 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 3.72 2.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.91 61.01 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.32 118.99 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.01 104.06 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.62 137.51 58.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' C ' HG12 ' A' ' 31' ' ' ILE . 32.1 mttt -117.56 -26.36 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.6 p -142.8 162.17 36.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.725 HD12 ' CG2' ' A' ' 28' ' ' THR . 2.5 mt -130.06 160.57 33.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -157.12 108.23 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -70.01 103.65 2.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 48' ' ' VAL . 2.2 mt -61.32 -69.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.8 p -169.09 170.91 8.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.501 ' HA2' ' CA ' ' A' ' 45' ' ' GLY . . . -119.62 -178.57 16.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.491 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.81 4.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.1 m -110.02 113.34 25.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.0 p -76.17 -42.67 45.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -71.97 127.06 31.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -42.74 -66.03 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.27 92.43 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p 53.28 39.38 29.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t 56.88 42.55 26.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 44' ' ' GLY . . . 66.65 149.23 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -157.87 147.42 19.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.556 HD12 ' CB ' ' A' ' 47' ' ' TRP . 18.1 tt -126.51 147.79 31.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 2.1 t60 -131.84 107.77 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.971 HD12 HG21 ' A' ' 37' ' ' THR . 3.4 mm? -92.25 149.7 21.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 10' ' ' HIS . 32.1 m-85 -134.42 114.06 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.4 t -43.33 -44.4 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 71.9 mm-40 -100.45 154.61 37.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.668 0.747 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 164.41 34.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 63.95 31.97 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 54.21 46.17 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 68.0 mt-30 -117.73 178.04 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.66 -160.11 15.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -56.11 151.41 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.6 p -145.04 136.19 24.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -136.61 119.91 16.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.7 p -106.54 144.95 32.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -128.41 140.3 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -107.45 -32.7 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.99 154.0 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.493 HG23 ' HA ' ' A' ' 85' ' ' ARG . 90.3 m -52.22 107.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.771 ' HB ' HD12 ' A' ' 84' ' ' LEU . 19.7 m -92.99 151.74 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 1.7 t -117.95 -25.95 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -129.94 127.42 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.431 HG12 ' C ' ' A' ' 82' ' ' LYS . 49.8 mm -86.27 144.96 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.6 102.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 55.6 32.05 18.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.4 p 44.94 36.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.8 p90 -57.44 117.02 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.501 ' HA ' HG23 ' A' ' 80' ' ' THR . 59.5 p -53.7 157.65 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.971 HG21 HD12 ' A' ' 11' ' ' LEU . 23.0 m -143.25 124.64 14.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -98.91 -26.07 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' PRO . 51.3 p -135.44 153.89 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.538 ' CB ' HD13 ' A' ' 11' ' ' LEU . 15.3 p -144.34 171.78 13.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -138.99 108.17 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 62' ' ' LEU . 98.3 t -96.03 136.72 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 t -151.55 109.35 3.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.463 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 88.69 66.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.61 159.56 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.7 m -78.77 166.77 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.819 ' O ' HD22 ' A' ' 62' ' ' LEU . 34.8 m95 -139.98 130.33 25.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.083 HG23 HD11 ' A' ' 87' ' ' ILE . 96.9 t -103.42 129.65 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.938 HG12 HD23 ' A' ' 84' ' ' LEU . 3.2 m -120.76 120.07 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 59' ' ' GLN . 4.3 m-85 -99.41 151.45 21.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -84.15 -16.95 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.72 168.29 13.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -80.7 154.98 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 64.1 m-80 63.61 35.66 11.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 53.81 48.0 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 165.4 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 -152.77 42.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.37 175.68 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 5.2 pt20 -155.9 132.3 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.522 ' HB2' HG23 ' A' ' 49' ' ' VAL . 92.3 m-85 -118.04 111.67 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.688 HG12 HG22 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -89.89 122.33 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.123 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.819 HD22 ' O ' ' A' ' 47' ' ' TRP . 0.0 OUTLIER -104.38 123.11 46.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -79.01 165.23 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.7 110.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.03 128.26 0.94 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -56.22 114.93 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 69.2 m-85 -99.41 101.97 14.83 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.692 0.758 . . . . 0.0 110.933 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 39' ' ' SER . 53.5 Cg_endo -69.76 -31.86 19.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.3 t -139.55 158.99 43.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.835 HD22 ' HB2' ' A' ' 75' ' ' CYS . 41.6 mt -60.56 -42.95 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 66.5 m -37.72 -59.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.06 -37.36 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.458 ' HB3' HD12 ' A' ' 62' ' ' LEU . 34.1 mtp -74.14 -29.97 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.64 18.79 22.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.835 ' HB2' HD22 ' A' ' 70' ' ' LEU . 82.0 m -100.35 150.37 36.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 158.53 56.69 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.35 49.07 0.2 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.19 132.76 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' ' 36' ' ' SER . 91.8 m -119.16 103.75 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.41 ' O ' HG13 ' A' ' 31' ' ' ILE . 2.6 m-85 -65.11 140.22 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.431 ' C ' HG12 ' A' ' 31' ' ' ILE . 36.5 mttt -116.63 -29.47 6.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 p -136.17 145.02 45.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.938 HD23 HG12 ' A' ' 49' ' ' VAL . 3.5 mt -117.56 158.41 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' HG23 ' A' ' 27' ' ' THR . 38.0 ttt85 -151.73 108.28 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 47' ' ' TRP . 4.2 t80 -79.72 102.16 8.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.083 HD11 HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -85.12 102.12 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.6 t -52.4 102.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.06 135.86 6.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.74 3.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 t -70.13 115.35 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.6 m -70.28 -52.83 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -91.46 137.48 32.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.835 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 t -60.3 163.24 5.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.19 -179.09 15.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -79.5 -45.66 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.5 m -58.79 120.51 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . -48.72 148.77 4.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -157.89 145.4 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.694 HD12 ' CB ' ' A' ' 47' ' ' TRP . 14.8 tt -124.3 153.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -136.09 106.81 6.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.875 HD12 HG21 ' A' ' 37' ' ' THR . 3.2 mm? -91.05 154.17 19.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -134.14 118.68 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.0 t -49.79 -43.52 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' HB2' ' C ' ' A' ' 18' ' ' GLN . 38.1 mt-10 -102.93 155.85 36.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.682 0.753 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' A' ' 38' ' ' LYS . 53.9 Cg_endo -69.72 163.01 39.82 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 63.65 32.93 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 53.25 45.56 28.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' C ' ' HB2' ' A' ' 14' ' ' GLU . 57.1 mm-40 -116.17 178.58 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.84 -156.38 23.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -64.03 154.63 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.9 137.42 23.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -130.41 122.66 28.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -105.3 139.91 39.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CG ' ' CD1' ' A' ' 84' ' ' LEU . 51.1 m-85 -126.58 139.35 53.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.86 -33.38 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -103.36 166.12 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.522 HG23 ' HA ' ' A' ' 85' ' ' ARG . 28.4 m -65.06 107.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.581 ' HB ' HD12 ' A' ' 84' ' ' LEU . 62.2 m -94.41 149.97 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -117.97 -18.09 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -136.12 141.83 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.406 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 29.7 mm -107.32 145.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -52.02 102.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 55.09 32.0 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.7 p 44.89 36.57 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 1.3 p90 -52.27 116.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.475 ' HA ' HG23 ' A' ' 80' ' ' THR . 25.8 p -53.95 160.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.875 HG21 HD12 ' A' ' 11' ' ' LEU . 23.6 m -143.9 116.62 8.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' CD ' ' HD3' ' A' ' 15' ' ' PRO . 13.3 mtpt -87.77 -29.86 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG2' ' A' ' 37' ' ' THR . 13.2 p -132.87 158.24 43.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -145.8 172.17 13.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -140.51 119.28 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.539 HG13 ' HD1' ' A' ' 47' ' ' TRP . 59.9 t -105.35 133.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.5 t -148.02 107.53 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.446 ' O ' ' CA ' ' A' ' 7' ' ' GLY . . . 87.2 66.47 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.47 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 104.42 164.02 24.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.456 ' HB2' HD12 ' A' ' 87' ' ' ILE . 65.8 m -83.14 162.18 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.895 ' O ' HD22 ' A' ' 62' ' ' LEU . 48.8 m95 -135.01 129.2 33.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.685 ' CG2' HD11 ' A' ' 87' ' ' ILE . 45.1 t -104.86 129.27 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.894 HG12 HD23 ' A' ' 84' ' ' LEU . 3.2 m -119.53 113.01 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 59' ' ' GLN . 18.2 m-85 -93.25 142.05 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.05 -12.74 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -108.65 168.98 13.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.443 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -85.03 152.69 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.821 0.344 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' ' CD2' ' A' ' 55' ' ' PHE . 17.3 m-80 63.57 35.19 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 56.92 47.85 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -114.49 143.53 44.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -161.54 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -54.14 175.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.484 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . 9.1 pt20 -152.24 130.76 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.465 ' CG ' ' SG ' ' A' ' 75' ' ' CYS . 82.0 m-85 -122.08 107.64 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.662 HG12 HG22 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -88.94 120.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.895 HD22 ' O ' ' A' ' 47' ' ' TRP . 0.1 OUTLIER -100.79 123.54 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -74.7 164.06 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.38 116.35 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.69 -146.69 9.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -134.55 106.4 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 83.4 m-85 -98.79 102.04 13.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.699 0.761 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' TYR . 53.7 Cg_endo -69.79 -29.23 24.03 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.4 m -140.23 175.88 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.514 HD21 ' O ' ' A' ' 37' ' ' THR . 32.4 mt -74.23 -44.14 54.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' GLY . 12.3 t -40.07 -64.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.24 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.53 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 27.5 mtp -73.93 -25.31 59.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 112.5 -30.45 7.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.465 ' SG ' ' CG ' ' A' ' 60' ' ' TYR . 87.6 m -55.06 149.01 26.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 167.4 24.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 89.03 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.75 43.93 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.39 158.93 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 36' ' ' SER . 96.9 m -139.68 131.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CG ' ' HB ' ' A' ' 49' ' ' VAL . 3.0 m-85 -93.5 139.46 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -116.47 -25.23 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.8 p -143.39 151.31 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.894 HD23 HG12 ' A' ' 49' ' ' VAL . 1.3 mt -124.05 151.52 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.522 ' HA ' HG23 ' A' ' 27' ' ' THR . 19.9 ttm-85 -137.36 109.55 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.606 ' CZ ' ' CB ' ' A' ' 88' ' ' SER . 10.0 t80 -76.29 103.17 6.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.685 HD11 ' CG2' ' A' ' 48' ' ' VAL . 7.7 mt -74.89 -33.81 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.606 ' CB ' ' CZ ' ' A' ' 86' ' ' PHE . 14.2 p 58.09 36.33 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.416 ' HA2' ' HD2' ' A' ' 90' ' ' PRO . . . 167.32 106.62 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.416 ' HD2' ' HA2' ' A' ' 89' ' ' GLY . 53.5 Cg_endo -69.72 2.72 3.26 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.78 2.32 . . . . 0.0 112.334 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 t -114.37 144.88 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -92.83 -44.69 8.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.97 . . . . . . . . 0 0 . 1 stop_ save_